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Thiophenes

Organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms, and one sulfur atom.

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1

N-(1-Benzothien-2-ylmethyl)-N-methylamine hydrochloride, ≥97%, Thermo Scientific™

CAS: 849776-43-8 Molecular Formula: C10H12ClNS Molecular Weight (g/mol): 213.72 MDL Number: MFCD03306023 InChI Key: PBEZSHRKTUDPLK-UHFFFAOYSA-N Synonym: n-1-benzothien-2-ylmethyl-n-methylamine hydrochloride,1-benzo b thiophen-2-yl-n-methylmethanamine hydrochloride,1-benzothien-2-ylmethyl methylamine hydrochloride,1-benzothiophen-2-ylmethyl methyl amine hydrochloride,benzo b thiophen-2-ylmethyl-methyl-ammonium chloride,c10h11ns.hcl,benzo b thiophen-2-ylmethyl methylamine, chloride,1-benzo b thiophen-2-yl ;-n-methylmethanamine hydrochloride,1-1-benzothiophen-2-yl-n-methylmethanamine-hydrogen chloride 1/1 PubChem CID: 16956076 SMILES: Cl.CNCC1=CC2=CC=CC=C2S1

PubChem CID 16956076
CAS 849776-43-8
Molecular Weight (g/mol) 213.72
MDL Number MFCD03306023
SMILES Cl.CNCC1=CC2=CC=CC=C2S1
Synonym n-1-benzothien-2-ylmethyl-n-methylamine hydrochloride,1-benzo b thiophen-2-yl-n-methylmethanamine hydrochloride,1-benzothien-2-ylmethyl methylamine hydrochloride,1-benzothiophen-2-ylmethyl methyl amine hydrochloride,benzo b thiophen-2-ylmethyl-methyl-ammonium chloride,c10h11ns.hcl,benzo b thiophen-2-ylmethyl methylamine, chloride,1-benzo b thiophen-2-yl ;-n-methylmethanamine hydrochloride,1-1-benzothiophen-2-yl-n-methylmethanamine-hydrogen chloride 1/1
InChI Key PBEZSHRKTUDPLK-UHFFFAOYSA-N
Molecular Formula C10H12ClNS
2

tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate, 97%, Thermo Scientific™

CAS: 215183-27-0 Molecular Formula: C10H14BrNO2S Molecular Weight (g/mol): 292.191 MDL Number: MFCD03659715 InChI Key: CVNITIPQHIGCKI-UHFFFAOYSA-N Synonym: tert-butyl 5-bromothiophen-2-yl methyl carbamate,tert-butyl n-5-bromo-2-thienyl methyl carbamate,5-bromo-thiophen-2-ylmethyl-carbamic acid tert-butyl ester,tert-butyl 5-bromothiophen-2-yl methylcarbamate,tert-butyl n-5-bromothiophen-2-yl methyl carbamate,n-boc-5-bromothiophen-2-methanamine,2-boc-amino methyl-5-bromothiophene,2-bromo-5-tert-butoxycarbonylaminomethylthiophene PubChem CID: 2779810 IUPAC Name: tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate SMILES: CC(C)(C)OC(=O)NCC1=CC=C(S1)Br

PubChem CID 2779810
CAS 215183-27-0
Molecular Weight (g/mol) 292.191
MDL Number MFCD03659715
SMILES CC(C)(C)OC(=O)NCC1=CC=C(S1)Br
Synonym tert-butyl 5-bromothiophen-2-yl methyl carbamate,tert-butyl n-5-bromo-2-thienyl methyl carbamate,5-bromo-thiophen-2-ylmethyl-carbamic acid tert-butyl ester,tert-butyl 5-bromothiophen-2-yl methylcarbamate,tert-butyl n-5-bromothiophen-2-yl methyl carbamate,n-boc-5-bromothiophen-2-methanamine,2-boc-amino methyl-5-bromothiophene,2-bromo-5-tert-butoxycarbonylaminomethylthiophene
IUPAC Name tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate
InChI Key CVNITIPQHIGCKI-UHFFFAOYSA-N
Molecular Formula C10H14BrNO2S
3

N-Deethyl Dorzolamide, TRC

CAS: 154154-90-2 Molecular Formula: C8 H12 N2 O4 S3 Molecular Weight (g/mol): 296.3869 Synonym: 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-amino-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)- (9CI),N-Deethyldorzolamide,Dorzolamide Related Compound D (USP),(4S-trans)-4-Amino-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-Dioxide,USP Dorzolamide Related Compound D,Dorzolamide EP Impurity D IUPAC Name: (4S,6S)-4-amino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide SMILES: C[C@H]1C[C@H](N)c2cc(sc2S1(=O)=O)S(=O)(=O)N

CAS 154154-90-2
Molecular Weight (g/mol) 296.3869
SMILES C[C@H]1C[C@H](N)c2cc(sc2S1(=O)=O)S(=O)(=O)N
Synonym 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-amino-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)- (9CI),N-Deethyldorzolamide,Dorzolamide Related Compound D (USP),(4S-trans)-4-Amino-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-Dioxide,USP Dorzolamide Related Compound D,Dorzolamide EP Impurity D
IUPAC Name (4S,6S)-4-amino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Molecular Formula C8 H12 N2 O4 S3
4

N-(4-Chlorobenzyl)-1-(5-nitrothiophen-2-yl)methanamine, TRC

CAS: 1384516-10-2 Molecular Formula: C12H11ClN2O2S Molecular Weight (g/mol): 282.75 Synonym: N-[(4-Chlorophenyl)methyl]-5-nitro-2-thiophenemethanamine (ACI), N-(4-Chlorobenzyl)-1-(5-nitrothiophen-2-yl)methanamine IUPAC Name: N-(4-chlorobenzyl)-1-(5-nitrothiophen-2-yl)methanamine SMILES: O=[N+](C1=CC=C(CNCC2=CC=C(Cl)C=C2)S1)[O-]

CAS 1384516-10-2
Molecular Weight (g/mol) 282.75
SMILES O=[N+](C1=CC=C(CNCC2=CC=C(Cl)C=C2)S1)[O-]
Synonym N-[(4-Chlorophenyl)methyl]-5-nitro-2-thiophenemethanamine (ACI), N-(4-Chlorobenzyl)-1-(5-nitrothiophen-2-yl)methanamine
IUPAC Name N-(4-chlorobenzyl)-1-(5-nitrothiophen-2-yl)methanamine
Molecular Formula C12H11ClN2O2S
5

4,5-Dibromothiophene-2-carboxaldehyde, 98%

CAS: 38071-22-6 Molecular Formula: C5H2Br2OS Molecular Weight (g/mol): 269.938 MDL Number: MFCD00225242 InChI Key: CHRAVDVWAPGZOY-UHFFFAOYSA-N Synonym: 4,5-dibromothiophene-2-carboxaldehyde,acmc-1afpx,4,5-dibromo-2-thenaldehyde,4,5-dibromo-2-formylthiophene,4,5-dibromo-2-thiophenecarbaldehyde PubChem CID: 813164 IUPAC Name: 4,5-dibromothiophene-2-carbaldehyde SMILES: C1=C(SC(=C1Br)Br)C=O

PubChem CID 813164
CAS 38071-22-6
Molecular Weight (g/mol) 269.938
MDL Number MFCD00225242
SMILES C1=C(SC(=C1Br)Br)C=O
Synonym 4,5-dibromothiophene-2-carboxaldehyde,acmc-1afpx,4,5-dibromo-2-thenaldehyde,4,5-dibromo-2-formylthiophene,4,5-dibromo-2-thiophenecarbaldehyde
IUPAC Name 4,5-dibromothiophene-2-carbaldehyde
InChI Key CHRAVDVWAPGZOY-UHFFFAOYSA-N
Molecular Formula C5H2Br2OS
6

4,5,6,7-Tetrahydrobenzo[b]thiophene-2-sulfonyl chloride, 95%

CAS: 128852-17-5 Molecular Formula: C8H9ClO2S2 Molecular Weight (g/mol): 236.73 MDL Number: MFCD18825753 InChI Key: UUBSHLWNADKCBU-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrahydrobenzo b thiophene-2-sulfonyl chloride,2-chlorosulphonyl-4,5,6,7-tetrahydrobenzo b thiophene,4,5,6,7-tetrahydro-1-benzothiophene-2-sulphonyl chloride,4,5,6,7-tetrahydrobenzo b thiophene-2-sulphonyl chloride,4,5,6,7-tetrahydro-1-benzo b thiophene-2-sulfonyl chloride,benzo b thiophene-2-sulfonyl chloride, 4,5,6,7-tetrahydro-9ci PubChem CID: 15158650 IUPAC Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC2=C(CCCC2)S1

PubChem CID 15158650
CAS 128852-17-5
Molecular Weight (g/mol) 236.73
MDL Number MFCD18825753
SMILES ClS(=O)(=O)C1=CC2=C(CCCC2)S1
Synonym 4,5,6,7-tetrahydrobenzo b thiophene-2-sulfonyl chloride,2-chlorosulphonyl-4,5,6,7-tetrahydrobenzo b thiophene,4,5,6,7-tetrahydro-1-benzothiophene-2-sulphonyl chloride,4,5,6,7-tetrahydrobenzo b thiophene-2-sulphonyl chloride,4,5,6,7-tetrahydro-1-benzo b thiophene-2-sulfonyl chloride,benzo b thiophene-2-sulfonyl chloride, 4,5,6,7-tetrahydro-9ci
IUPAC Name 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride
InChI Key UUBSHLWNADKCBU-UHFFFAOYSA-N
Molecular Formula C8H9ClO2S2
7

Benzo[b]thiophene-2-carboxamide, 97%

CAS: 6314-42-7 Molecular Formula: C9H7NOS Molecular Weight (g/mol): 177.221 MDL Number: MFCD00052505 InChI Key: GYSCBCSGKXNZRH-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carboxamide,thianaphthene-2-carboxamide,benzothiophene carboxamide,2-benzo b thiophenecarboxamide,# PubChem CID: 237073 IUPAC Name: 1-benzothiophene-2-carboxamide SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)N

PubChem CID 237073
CAS 6314-42-7
Molecular Weight (g/mol) 177.221
MDL Number MFCD00052505
SMILES C1=CC=C2C(=C1)C=C(S2)C(=O)N
Synonym benzo b thiophene-2-carboxamide,thianaphthene-2-carboxamide,benzothiophene carboxamide,2-benzo b thiophenecarboxamide,#
IUPAC Name 1-benzothiophene-2-carboxamide
InChI Key GYSCBCSGKXNZRH-UHFFFAOYSA-N
Molecular Formula C9H7NOS
8

2,5-Dibromo-3,4-dinitrothiophene, 95%

CAS: 52431-30-8 Molecular Formula: C4Br2N2O4S Molecular Weight (g/mol): 331.92 MDL Number: MFCD00015537 InChI Key: AHGHPBPARMANQD-UHFFFAOYSA-N Synonym: 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc PubChem CID: 257024 IUPAC Name: 2,5-dibromo-3,4-dinitrothiophene SMILES: [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O

PubChem CID 257024
CAS 52431-30-8
Molecular Weight (g/mol) 331.92
MDL Number MFCD00015537
SMILES [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O
Synonym 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc
IUPAC Name 2,5-dibromo-3,4-dinitrothiophene
InChI Key AHGHPBPARMANQD-UHFFFAOYSA-N
Molecular Formula C4Br2N2O4S
9

5-Nitrothiophene-2-carboxaldehyde, 98%

CAS: 4521-33-9 Molecular Formula: C5H3NO3S Molecular Weight (g/mol): 157.143 MDL Number: MFCD00005433 InChI Key: CHTSWZNXEKOLPM-UHFFFAOYSA-N Synonym: 5-nitrothiophene-2-carboxaldehyde,5-nitro-2-thiophenecarboxaldehyde,5-nitro-2-thiophenecarbaldehyde,5-nitro-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 5-nitro,5-nitrothiophene-2-aldehyde,thiophenecarboxaldehyde, 5-nitro,pubchem15668,5-nitrothiophen aldehyde,5-nitro-2-formyl-thiophene PubChem CID: 78281 IUPAC Name: 5-nitrothiophene-2-carbaldehyde SMILES: C1=C(SC(=C1)[N+](=O)[O-])C=O

PubChem CID 78281
CAS 4521-33-9
Molecular Weight (g/mol) 157.143
MDL Number MFCD00005433
SMILES C1=C(SC(=C1)[N+](=O)[O-])C=O
Synonym 5-nitrothiophene-2-carboxaldehyde,5-nitro-2-thiophenecarboxaldehyde,5-nitro-2-thiophenecarbaldehyde,5-nitro-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 5-nitro,5-nitrothiophene-2-aldehyde,thiophenecarboxaldehyde, 5-nitro,pubchem15668,5-nitrothiophen aldehyde,5-nitro-2-formyl-thiophene
IUPAC Name 5-nitrothiophene-2-carbaldehyde
InChI Key CHTSWZNXEKOLPM-UHFFFAOYSA-N
Molecular Formula C5H3NO3S
10

5-Nitrothiophene-2-carbonitrile, 98+%

CAS: 16689-02-4 Molecular Formula: C5H2N2O2S Molecular Weight (g/mol): 154.143 MDL Number: MFCD00052401 InChI Key: FLYONFCGDKAMIH-UHFFFAOYSA-N Synonym: 5-nitro-2-thiophenecarbonitrile,5-cyano-2-nitrothiophene,2-cyano-5-nitrothiophene,5-nitrothiophene-2-carbonitirile,5-nitro-thiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-nitro,zlchem 478,maybridge1_005980,5-nitro-2-cyanothiophene,acmc-209dv8 PubChem CID: 519294 IUPAC Name: 5-nitrothiophene-2-carbonitrile SMILES: C1=C(SC(=C1)[N+](=O)[O-])C#N

PubChem CID 519294
CAS 16689-02-4
Molecular Weight (g/mol) 154.143
MDL Number MFCD00052401
SMILES C1=C(SC(=C1)[N+](=O)[O-])C#N
Synonym 5-nitro-2-thiophenecarbonitrile,5-cyano-2-nitrothiophene,2-cyano-5-nitrothiophene,5-nitrothiophene-2-carbonitirile,5-nitro-thiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-nitro,zlchem 478,maybridge1_005980,5-nitro-2-cyanothiophene,acmc-209dv8
IUPAC Name 5-nitrothiophene-2-carbonitrile
InChI Key FLYONFCGDKAMIH-UHFFFAOYSA-N
Molecular Formula C5H2N2O2S
11

3,4-Diaminothiophene dihydrochloride, 96%

CAS: 90069-81-1 Molecular Formula: C4H6N2S·2HCl Molecular Weight (g/mol): 187.09 MDL Number: MFCD00671511 InChI Key: RAMOMCXNLLLICQ-UHFFFAOYSA-N Synonym: 3,4-diaminothiophene dihydrochloride,thiophene-3,4-diamine dihydrochloride,3,4-diaminothiophenedihydrochloride,pubchem21822,acmc-209r4q,3,4-diaminothiophene 2hcl,3?4-diaminothiophene dihydrochloride,3,4-thiophenediamine, dihydrochloride,thiophene-3,4-diamine-hydrogen chloride 1/2 PubChem CID: 12707342 IUPAC Name: thiophene-3,4-diamine;dihydrochloride SMILES: C1=C(C(=CS1)N)N.Cl.Cl

PubChem CID 12707342
CAS 90069-81-1
Molecular Weight (g/mol) 187.09
MDL Number MFCD00671511
SMILES C1=C(C(=CS1)N)N.Cl.Cl
Synonym 3,4-diaminothiophene dihydrochloride,thiophene-3,4-diamine dihydrochloride,3,4-diaminothiophenedihydrochloride,pubchem21822,acmc-209r4q,3,4-diaminothiophene 2hcl,3?4-diaminothiophene dihydrochloride,3,4-thiophenediamine, dihydrochloride,thiophene-3,4-diamine-hydrogen chloride 1/2
IUPAC Name thiophene-3,4-diamine;dihydrochloride
InChI Key RAMOMCXNLLLICQ-UHFFFAOYSA-N
Molecular Formula C4H6N2S·2HCl
12

Thiophene-2-carboxamide, 99%

CAS: 5813-89-8 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00010425 InChI Key: DENPQNAWGQXKCU-UHFFFAOYSA-N Synonym: 2-thiophenecarboxamide,2-thienylamide,2-thenamide,thiophen-2-carboxamide,2-aminocarbonyl thiophene,2-thienylamide french,thiophenecarboxamide,thiolamide,acmc-1ao1m,5-18-06-00162 beilstein handbook reference PubChem CID: 22063 IUPAC Name: thiophene-2-carboxamide SMILES: C1=CSC(=C1)C(=O)N

PubChem CID 22063
CAS 5813-89-8
Molecular Weight (g/mol) 127.161
MDL Number MFCD00010425
SMILES C1=CSC(=C1)C(=O)N
Synonym 2-thiophenecarboxamide,2-thienylamide,2-thenamide,thiophen-2-carboxamide,2-aminocarbonyl thiophene,2-thienylamide french,thiophenecarboxamide,thiolamide,acmc-1ao1m,5-18-06-00162 beilstein handbook reference
IUPAC Name thiophene-2-carboxamide
InChI Key DENPQNAWGQXKCU-UHFFFAOYSA-N
Molecular Formula C5H5NOS
13

2-Amino-4-methylthiophene-3-carboxamide, 98%

CAS: 4651-97-2 Molecular Formula: C6H8N2OS Molecular Weight (g/mol): 156.203 MDL Number: MFCD00052594 InChI Key: AXLIJQRGPVJGSO-UHFFFAOYSA-N Synonym: 2-amino-4-methyl-3-thiophenecarboxamide,3-thiophenecarboxamide, 2-amino-4-methyl,acmc-20a2ps,maybridge1_003931,2-amino-4-methyl-thiophen-3-carboxamid,2-amino-4-methyl-3-thiophene carboxamide,2-azanyl-4-methyl-thiophene-3-carboxamide,2-amino-4-methyl-thiophene-3-carboxylic acid amide PubChem CID: 293810 IUPAC Name: 2-amino-4-methylthiophene-3-carboxamide SMILES: CC1=CSC(=C1C(=O)N)N

PubChem CID 293810
CAS 4651-97-2
Molecular Weight (g/mol) 156.203
MDL Number MFCD00052594
SMILES CC1=CSC(=C1C(=O)N)N
Synonym 2-amino-4-methyl-3-thiophenecarboxamide,3-thiophenecarboxamide, 2-amino-4-methyl,acmc-20a2ps,maybridge1_003931,2-amino-4-methyl-thiophen-3-carboxamid,2-amino-4-methyl-3-thiophene carboxamide,2-azanyl-4-methyl-thiophene-3-carboxamide,2-amino-4-methyl-thiophene-3-carboxylic acid amide
IUPAC Name 2-amino-4-methylthiophene-3-carboxamide
InChI Key AXLIJQRGPVJGSO-UHFFFAOYSA-N
Molecular Formula C6H8N2OS
14

2-Nitrothiophene, tech. 85%

CAS: 609-40-5 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.133 MDL Number: MFCD00005425 InChI Key: JIZRGGUCOQKGQD-UHFFFAOYSA-N Synonym: thiophene, 2-nitro,2-nitro-thiophene,2-nitro thiophene,2-nitrothiophene, tech,nitrothiophene,2-nitrothiofene,pubchem5570,2-nitrothiophene, tech.,acmc-1aw2t,wln: t5sj bnw PubChem CID: 11866 IUPAC Name: 2-nitrothiophene SMILES: C1=CSC(=C1)[N+](=O)[O-]

PubChem CID 11866
CAS 609-40-5
Molecular Weight (g/mol) 129.133
MDL Number MFCD00005425
SMILES C1=CSC(=C1)[N+](=O)[O-]
Synonym thiophene, 2-nitro,2-nitro-thiophene,2-nitro thiophene,2-nitrothiophene, tech,nitrothiophene,2-nitrothiofene,pubchem5570,2-nitrothiophene, tech.,acmc-1aw2t,wln: t5sj bnw
IUPAC Name 2-nitrothiophene
InChI Key JIZRGGUCOQKGQD-UHFFFAOYSA-N
Molecular Formula C4H3NO2S
15

2,5-Dibromo-3,4-dinitrothiophene, Thermo Scientific Chemicals

CAS: 52431-30-8 Molecular Formula: C4Br2N2O4S Molecular Weight (g/mol): 331.92 MDL Number: MFCD00015537 InChI Key: AHGHPBPARMANQD-UHFFFAOYSA-N Synonym: 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc PubChem CID: 257024 IUPAC Name: 2,5-dibromo-3,4-dinitrothiophene SMILES: [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O

PubChem CID 257024
CAS 52431-30-8
Molecular Weight (g/mol) 331.92
MDL Number MFCD00015537
SMILES [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O
Synonym 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc
IUPAC Name 2,5-dibromo-3,4-dinitrothiophene
InChI Key AHGHPBPARMANQD-UHFFFAOYSA-N
Molecular Formula C4Br2N2O4S