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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Pyridines and derivatives (18)
Phenanthrolines (8)
Azoles (7)
Heteroaromatic compounds (5)
Quinolines and derivatives (5)
Pyrimidines And Derivatives (4)
Dithianes (3)
Indoles and derivatives (3)
Benzodioxanes (2)
Benzodioxoles (2)
Benzoxazoles (2)
Dithioles (2)
Imidolactams (2)
Isobenzofurans (2)
Oxacyclic compounds (2)
Pyrrolidines (2)
Piperidines (1)

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1 – 15 of 33 results
1
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1,10-Phenanthroline monohydrate, 99+%, pure

CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N PubChem CID: 21226 SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1

PubChem CID 21226
CAS 5144-89-8
Molecular Weight (g/mol) 198.23
MDL Number MFCD00149973
SMILES O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
InChI Key PPQJCISYYXZCAE-UHFFFAOYSA-N
Molecular Formula C12H10N2O
2
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Pyrazinamide, 99%

CAS: 98-96-4 Molecular Formula: C5H5N3O Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006132 InChI Key: IPEHBUMCGVEMRF-UHFFFAOYSA-N Synonym: pyrazinamide,pyrazinecarboxamide,zinamide,pyrazinoic acid amide,2-pyrazinecarboxamide,aldinamide,aldinamid,pirazinamid,pyrazineamide,pyrafat PubChem CID: 1046 ChEBI: CHEBI:45285 IUPAC Name: pyrazine-2-carboxamide SMILES: C1=CN=C(C=N1)C(=O)N

PubChem CID 1046
CAS 98-96-4
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:45285
MDL Number MFCD00006132
SMILES C1=CN=C(C=N1)C(=O)N
Synonym pyrazinamide,pyrazinecarboxamide,zinamide,pyrazinoic acid amide,2-pyrazinecarboxamide,aldinamide,aldinamid,pirazinamid,pyrazineamide,pyrafat
IUPAC Name pyrazine-2-carboxamide
InChI Key IPEHBUMCGVEMRF-UHFFFAOYSA-N
Molecular Formula C5H5N3O
3
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1,3-Diphenylisobenzofuran, 97%

CAS: 5471-63-6 Molecular Formula: C20H14O Molecular Weight (g/mol): 270.32 MDL Number: MFCD00005931 InChI Key: ZKSVYBRJSMBDMV-UHFFFAOYSA-N Synonym: 1,3-diphenylisobenzofuran,diphenylisobenzofuran,isobenzofuran, 1,3-diphenyl,1,3 diphenylisobenzofuran,2,5-diphenyl-3,4-benzofuran,acmc-209lj9,1,3-diphenylbenzo c furan,1,3-diphenylisobenzo b furan,1,3-di phenyl-2-benzofuran,# PubChem CID: 21649 IUPAC Name: 1,3-diphenyl-2-benzofuran SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4

PubChem CID 21649
CAS 5471-63-6
Molecular Weight (g/mol) 270.32
MDL Number MFCD00005931
SMILES C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4
Synonym 1,3-diphenylisobenzofuran,diphenylisobenzofuran,isobenzofuran, 1,3-diphenyl,1,3 diphenylisobenzofuran,2,5-diphenyl-3,4-benzofuran,acmc-209lj9,1,3-diphenylbenzo c furan,1,3-diphenylisobenzo b furan,1,3-di phenyl-2-benzofuran,#
IUPAC Name 1,3-diphenyl-2-benzofuran
InChI Key ZKSVYBRJSMBDMV-UHFFFAOYSA-N
Molecular Formula C20H14O
4
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1,10-Phenanthroline monohydrate, ACS reagent

CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N PubChem CID: 21226 SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1

PubChem CID 21226
CAS 5144-89-8
Molecular Weight (g/mol) 198.23
MDL Number MFCD00149973
SMILES O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
InChI Key PPQJCISYYXZCAE-UHFFFAOYSA-N
Molecular Formula C12H10N2O
5

3-(2-Thienyl)propanoic acid, 98%

CAS: 5928-51-8 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.2 MDL Number: MFCD00047093 InChI Key: MJPVYTKZYZPIQA-UHFFFAOYSA-N Synonym: 3-2-thienyl propanoic acid,3-2-thienyl propionic acid,2-thiophenepropanoic acid,3-thiophen-2-yl propanoic acid,2-thiophenepropionic acid,maybridge3_005592,3-2-thienyl propionic pound inverted question markacid,3-thiophen-2-yl-propionic acid,thiolpropionic acid,pubchem23928 PubChem CID: 703169 IUPAC Name: 3-thiophen-2-ylpropanoic acid SMILES: C1=CSC(=C1)CCC(=O)O

PubChem CID 703169
CAS 5928-51-8
Molecular Weight (g/mol) 156.2
MDL Number MFCD00047093
SMILES C1=CSC(=C1)CCC(=O)O
Synonym 3-2-thienyl propanoic acid,3-2-thienyl propionic acid,2-thiophenepropanoic acid,3-thiophen-2-yl propanoic acid,2-thiophenepropionic acid,maybridge3_005592,3-2-thienyl propionic pound inverted question markacid,3-thiophen-2-yl-propionic acid,thiolpropionic acid,pubchem23928
IUPAC Name 3-thiophen-2-ylpropanoic acid
InChI Key MJPVYTKZYZPIQA-UHFFFAOYSA-N
Molecular Formula C7H8O2S
6

2-Amino-3-nitropyridine, 99%

CAS: 4214-75-9 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006314 InChI Key: BPYHGTCRXDWOIQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitropyridine,3-nitro-2-aminopyridine,2-pyridinamine, 3-nitro,3-nitropyridin-2-ylamine,3-nitro-pyridin-2-ylamine,pyridine, 2-amino-3-nitro,2-amino3-nitropyridine,3-nitro-2-pyridinamine,2-amino-3-nitro pyridine,3-nitro-2-pyridylamine PubChem CID: 77887 IUPAC Name: 3-nitropyridin-2-amine SMILES: NC1=NC=CC=C1[N+]([O-])=O

PubChem CID 77887
CAS 4214-75-9
Molecular Weight (g/mol) 139.11
MDL Number MFCD00006314
SMILES NC1=NC=CC=C1[N+]([O-])=O
Synonym 2-amino-3-nitropyridine,3-nitro-2-aminopyridine,2-pyridinamine, 3-nitro,3-nitropyridin-2-ylamine,3-nitro-pyridin-2-ylamine,pyridine, 2-amino-3-nitro,2-amino3-nitropyridine,3-nitro-2-pyridinamine,2-amino-3-nitro pyridine,3-nitro-2-pyridylamine
IUPAC Name 3-nitropyridin-2-amine
InChI Key BPYHGTCRXDWOIQ-UHFFFAOYSA-N
Molecular Formula C5H5N3O2
7
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Quinaldic acid, 99%

CAS: 93-10-7 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00006752 InChI Key: LOAUVZALPPNFOQ-UHFFFAOYSA-N Synonym: quinaldic acid,2-quinolinecarboxylic acid,quinaldinic acid,2-carboxyquinoline,quinaldate,2-quinolinylcarboxylic acid,2-quinoline carboxylic acid,2-quinolinecarboxylate,2-quinaldic acid,2-quinolinecarbocylic acid PubChem CID: 7124 ChEBI: CHEBI:18386 IUPAC Name: quinoline-2-carboxylic acid SMILES: OC(=O)C1=CC=C2C=CC=CC2=N1

PubChem CID 7124
CAS 93-10-7
Molecular Weight (g/mol) 173.17
ChEBI CHEBI:18386
MDL Number MFCD00006752
SMILES OC(=O)C1=CC=C2C=CC=CC2=N1
Synonym quinaldic acid,2-quinolinecarboxylic acid,quinaldinic acid,2-carboxyquinoline,quinaldate,2-quinolinylcarboxylic acid,2-quinoline carboxylic acid,2-quinolinecarboxylate,2-quinaldic acid,2-quinolinecarbocylic acid
IUPAC Name quinoline-2-carboxylic acid
InChI Key LOAUVZALPPNFOQ-UHFFFAOYSA-N
Molecular Formula C10H7NO2
8
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O-(N-Succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate, 97%

CAS: 105832-38-0 Molecular Formula: C9H16BF4N3O3 Molecular Weight (g/mol): 301.05 MDL Number: MFCD00077875 InChI Key: YEBLHMRPZHNTEK-UHFFFAOYSA-N Synonym: tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 PubChem CID: 9857522 IUPAC Name: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C

PubChem CID 9857522
CAS 105832-38-0
Molecular Weight (g/mol) 301.05
MDL Number MFCD00077875
SMILES F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C
Synonym tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781
IUPAC Name [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate
InChI Key YEBLHMRPZHNTEK-UHFFFAOYSA-N
Molecular Formula C9H16BF4N3O3
9

2,3-Diamino-5-bromopyridine, 97%

CAS: 38875-53-5 Molecular Formula: C5H7BrN3 Molecular Weight (g/mol): 189.04 MDL Number: MFCD00460094 InChI Key: YRGMYJUKFJPNPD-UHFFFAOYSA-O Synonym: 2,3-diamino-5-bromopyridine,5-bromo-2,3-diaminopyridine,5-bromo-2,3-pyridinediamine,2,3-pyridinediamine, 5-bromo,3-amino-5-bromopyridin-2-yl amine,abbypharma ap-17-5972,5-brompyridin-2,3-diamin,pubchem5383,acmc-1adjl,5-brompyridin-2,3-diamine PubChem CID: 691156 IUPAC Name: 5-bromopyridine-2,3-diamine SMILES: NC1=CC(Br)=C[NH+]=C1N

PubChem CID 691156
CAS 38875-53-5
Molecular Weight (g/mol) 189.04
MDL Number MFCD00460094
SMILES NC1=CC(Br)=C[NH+]=C1N
Synonym 2,3-diamino-5-bromopyridine,5-bromo-2,3-diaminopyridine,5-bromo-2,3-pyridinediamine,2,3-pyridinediamine, 5-bromo,3-amino-5-bromopyridin-2-yl amine,abbypharma ap-17-5972,5-brompyridin-2,3-diamin,pubchem5383,acmc-1adjl,5-brompyridin-2,3-diamine
IUPAC Name 5-bromopyridine-2,3-diamine
InChI Key YRGMYJUKFJPNPD-UHFFFAOYSA-O
Molecular Formula C5H7BrN3
10

5-Nitrouracil, 99+%, Thermo Scientific™

CAS: 611-08-5 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.09 MDL Number: MFCD00006021 InChI Key: TUARVSWVPPVUGS-UHFFFAOYSA-N Synonym: 5-nitrouracil,2,4-dihydroxy-5-nitropyrimidine,5-nitropyrimidine-2,4-diol,uracil, 5-nitro,5-nitropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-nitro,5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione,4-hydroxy-5-nitropyrimidin-2 1h-one,2,4 1h,3h-pyrimidinedione-5-nitro,5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine PubChem CID: 69135 ChEBI: CHEBI:60763 SMILES: [O-][N+](=O)C1=CNC(=O)NC1=O

PubChem CID 69135
CAS 611-08-5
Molecular Weight (g/mol) 157.09
ChEBI CHEBI:60763
MDL Number MFCD00006021
SMILES [O-][N+](=O)C1=CNC(=O)NC1=O
Synonym 5-nitrouracil,2,4-dihydroxy-5-nitropyrimidine,5-nitropyrimidine-2,4-diol,uracil, 5-nitro,5-nitropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-nitro,5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione,4-hydroxy-5-nitropyrimidin-2 1h-one,2,4 1h,3h-pyrimidinedione-5-nitro,5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine
InChI Key TUARVSWVPPVUGS-UHFFFAOYSA-N
Molecular Formula C4H3N3O4
11

3,5-Dibromopyridine, 98+%

CAS: 625-92-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD00014634 InChI Key: SOSPMXMEOFGPIM-UHFFFAOYSA-N Synonym: pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln PubChem CID: 69369 ChEBI: CHEBI:51593 IUPAC Name: 3,5-dibromopyridine SMILES: BrC1=CC(Br)=CN=C1

PubChem CID 69369
CAS 625-92-3
Molecular Weight (g/mol) 236.89
ChEBI CHEBI:51593
MDL Number MFCD00014634
SMILES BrC1=CC(Br)=CN=C1
Synonym pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln
IUPAC Name 3,5-dibromopyridine
InChI Key SOSPMXMEOFGPIM-UHFFFAOYSA-N
Molecular Formula C5H3Br2N
12

1,3-Dithiane, 97%

CAS: 505-23-7 Molecular Formula: C4H8S2 Molecular Weight (g/mol): 120.23 MDL Number: MFCD00006654 InChI Key: WQADWIOXOXRPLN-UHFFFAOYSA-N Synonym: 1,3-dithiacyclohexane,m-dithiane,dithiane-1,3,1,3-dithian,dithiane-1,3 french,1,3 dithiane,ccris 6777,m-dithiane, 8ci,1,3 dithiocyclohexane,acmc-209knk PubChem CID: 10451 ChEBI: CHEBI:47845 IUPAC Name: 1,3-dithiane SMILES: C1CSCSC1

PubChem CID 10451
CAS 505-23-7
Molecular Weight (g/mol) 120.23
ChEBI CHEBI:47845
MDL Number MFCD00006654
SMILES C1CSCSC1
Synonym 1,3-dithiacyclohexane,m-dithiane,dithiane-1,3,1,3-dithian,dithiane-1,3 french,1,3 dithiane,ccris 6777,m-dithiane, 8ci,1,3 dithiocyclohexane,acmc-209knk
IUPAC Name 1,3-dithiane
InChI Key WQADWIOXOXRPLN-UHFFFAOYSA-N
Molecular Formula C4H8S2
13

Piperonylonitrile, 97%, Thermo Scientific™

CAS: 4421-09-4 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00005820 InChI Key: PKRWWZCDLJSJIF-UHFFFAOYSA-N Synonym: piperonylonitrile,benzo d 1,3 dioxole-5-carbonitrile,3,4-methylenedioxy benzonitrile,3,4-methylenedioxybenzonitrile,2h-1,3-benzodioxole-5-carbonitrile,benzo-1,3-dioxole-5-carbonitrile,benzonitrile, 3,4-methylenedioxy,2h-benzo d 1,3-dioxolane-5-carbonitrile,pubchem15358 PubChem CID: 78136 IUPAC Name: 1,3-benzodioxole-5-carbonitrile SMILES: C1OC2=C(O1)C=C(C=C2)C#N

PubChem CID 78136
CAS 4421-09-4
Molecular Weight (g/mol) 147.13
MDL Number MFCD00005820
SMILES C1OC2=C(O1)C=C(C=C2)C#N
Synonym piperonylonitrile,benzo d 1,3 dioxole-5-carbonitrile,3,4-methylenedioxy benzonitrile,3,4-methylenedioxybenzonitrile,2h-1,3-benzodioxole-5-carbonitrile,benzo-1,3-dioxole-5-carbonitrile,benzonitrile, 3,4-methylenedioxy,2h-benzo d 1,3-dioxolane-5-carbonitrile,pubchem15358
IUPAC Name 1,3-benzodioxole-5-carbonitrile
InChI Key PKRWWZCDLJSJIF-UHFFFAOYSA-N
14

6-Chloro-2-benzoxazolethiol, 99%, Thermo Scientific Chemicals

CAS: 22876-20-6 Molecular Formula: C7H4ClNOS Molecular Weight (g/mol): 185.63 MDL Number: MFCD01456482 InChI Key: HAASPZUBSZGCKU-UHFFFAOYSA-N Synonym: 6-chloro-1,3-benzoxazole-2-thiol,6-chloro-2-mercaptobenzoxazole,6-chloro-2-benzoxazolethiol,6-chlorobenzo d oxazole-2-thiol,2-mercapto-6-chlorobenzoxazole,6-chlorobenzoxazole-2 3h-thione,6-chlorobenzo d oxazole-2 3h-thione,6-chloro-benzooxazole-2-thiol,pubchem8714,6-chlorobenzoxazole-2-thiol PubChem CID: 2119214 IUPAC Name: 6-chloro-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Cl)OC(=S)N2

PubChem CID 2119214
CAS 22876-20-6
Molecular Weight (g/mol) 185.63
MDL Number MFCD01456482
SMILES C1=CC2=C(C=C1Cl)OC(=S)N2
Synonym 6-chloro-1,3-benzoxazole-2-thiol,6-chloro-2-mercaptobenzoxazole,6-chloro-2-benzoxazolethiol,6-chlorobenzo d oxazole-2-thiol,2-mercapto-6-chlorobenzoxazole,6-chlorobenzoxazole-2 3h-thione,6-chlorobenzo d oxazole-2 3h-thione,6-chloro-benzooxazole-2-thiol,pubchem8714,6-chlorobenzoxazole-2-thiol
IUPAC Name 6-chloro-3H-1,3-benzoxazole-2-thione
InChI Key HAASPZUBSZGCKU-UHFFFAOYSA-N
Molecular Formula C7H4ClNOS
15

4-Hydroxyquinoline, 98%

CAS: 611-36-9 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006777,MFCD00956391 InChI Key: PMZDQRJGMBOQBF-UHFFFAOYSA-N Synonym: 4-hydroxyquinoline,quinolin-4-ol,4-quinolinol,quinolin-4 1h-one,4 1h-quinolinone,kynurine,4-hydroxy quinoline,quinoline, 4-hydroxy,ccris 4329,4-chinolinol PubChem CID: 69141 ChEBI: CHEBI:15815 IUPAC Name: 1H-quinolin-4-one SMILES: O=C1C=CNC2=CC=CC=C12

PubChem CID 69141
CAS 611-36-9
Molecular Weight (g/mol) 145.16
ChEBI CHEBI:15815
MDL Number MFCD00006777,MFCD00956391
SMILES O=C1C=CNC2=CC=CC=C12
Synonym 4-hydroxyquinoline,quinolin-4-ol,4-quinolinol,quinolin-4 1h-one,4 1h-quinolinone,kynurine,4-hydroxy quinoline,quinoline, 4-hydroxy,ccris 4329,4-chinolinol
IUPAC Name 1H-quinolin-4-one
InChI Key PMZDQRJGMBOQBF-UHFFFAOYSA-N
Molecular Formula C9H7NO