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).

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3,811 – 3,825 of 219,023 results

3,811

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2-Thiophenecarbonitrile, 97%

CAS: 1003-31-2 Molecular Formula: C₅H₃NS Molecular Weight (g/mol): 109.15 MDL Number: MFCD00005416 InChI Key: CUPOOAWTRIURFT-UHFFFAOYSA-N Synonym: 2-thiophenecarbonitrile,2-cyanothiophene,2-thiophene carbonitrile,2-thenylcyanide,thiophenecarbonitrile,2-thienonitrile,2-thenonitrile,2-thiophenenitrile,2-cyano-thiophene,2-thienylcarbonitrile PubChem CID: 66087 IUPAC Name: thiophene-2-carbonitrile SMILES: C1=CSC(=C1)C#N

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Specifications

PubChem CID	66087
CAS	1003-31-2
Molecular Weight (g/mol)	109.15
MDL Number	MFCD00005416
SMILES	C1=CSC(=C1)C#N
Synonym	2-thiophenecarbonitrile,2-cyanothiophene,2-thiophene carbonitrile,2-thenylcyanide,thiophenecarbonitrile,2-thienonitrile,2-thenonitrile,2-thiophenenitrile,2-cyano-thiophene,2-thienylcarbonitrile
IUPAC Name	thiophene-2-carbonitrile
InChI Key	CUPOOAWTRIURFT-UHFFFAOYSA-N
Molecular Formula	C₅H₃NS

3,812

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5-Amino-4,6-dichloropyrimidine, 98+%

CAS: 5413-85-4 Molecular Formula: C4H3Cl2N3 Molecular Weight (g/mol): 163.99 MDL Number: MFCD00006108 InChI Key: NIGDWBHWHVHOAD-UHFFFAOYSA-N Synonym: 5-amino-4,6-dichloropyrimidine,5-pyrimidinamine, 4,6-dichloro,4,6-dichloro-5-pyrimidinamine,4,6-dichloro-5-aminopyrimidine,4,6-dichloropyrimidin-5-ylamine,5-amine-4,6-dichloropyrimidine,5-amino-4,6-dichloropyfimidine,4,6-dichloro-pyrimidin-5-ylamine,pyrimidine, 5-amino-4,6-dichloro,4,6-dichloropyrimidine-5-ylamine PubChem CID: 79434 IUPAC Name: 4,6-dichloropyrimidin-5-amine SMILES: NC1=C(Cl)N=CN=C1Cl

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Specifications

PubChem CID	79434
CAS	5413-85-4
Molecular Weight (g/mol)	163.99
MDL Number	MFCD00006108
SMILES	NC1=C(Cl)N=CN=C1Cl
Synonym	5-amino-4,6-dichloropyrimidine,5-pyrimidinamine, 4,6-dichloro,4,6-dichloro-5-pyrimidinamine,4,6-dichloro-5-aminopyrimidine,4,6-dichloropyrimidin-5-ylamine,5-amine-4,6-dichloropyrimidine,5-amino-4,6-dichloropyfimidine,4,6-dichloro-pyrimidin-5-ylamine,pyrimidine, 5-amino-4,6-dichloro,4,6-dichloropyrimidine-5-ylamine
IUPAC Name	4,6-dichloropyrimidin-5-amine
InChI Key	NIGDWBHWHVHOAD-UHFFFAOYSA-N
Molecular Formula	C4H3Cl2N3

3,813

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7-Bromo-1,2,3,4-tetrahydroisoquinoline, 97%

CAS: 17680-55-6 Molecular Formula: C9H10BrN Molecular Weight (g/mol): 212.09 MDL Number: MFCD06739047 InChI Key: OYODEQFZAJVROF-UHFFFAOYSA-N Synonym: 7-bromo-1,2,3,4-tetrahydro-isoquinoline,isoquinoline, 7-bromo-1,2,3,4-tetrahydro,acmc-209uo4,7-bromotetrahydroisoquinoline PubChem CID: 10729255 IUPAC Name: 7-bromo-1,2,3,4-tetrahydroisoquinoline SMILES: C1CNCC2=C1C=CC(=C2)Br

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Specifications

PubChem CID	10729255
CAS	17680-55-6
Molecular Weight (g/mol)	212.09
MDL Number	MFCD06739047
SMILES	C1CNCC2=C1C=CC(=C2)Br
Synonym	7-bromo-1,2,3,4-tetrahydro-isoquinoline,isoquinoline, 7-bromo-1,2,3,4-tetrahydro,acmc-209uo4,7-bromotetrahydroisoquinoline
IUPAC Name	7-bromo-1,2,3,4-tetrahydroisoquinoline
InChI Key	OYODEQFZAJVROF-UHFFFAOYSA-N
Molecular Formula	C9H10BrN

3,814

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3-Methylphthalic anhydride, 96%

CAS: 4792-30-7 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00047316 InChI Key: TWWAWPHAOPTQEU-UHFFFAOYSA-N Synonym: 3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb PubChem CID: 98500 IUPAC Name: 4-methyl-2-benzofuran-1,3-dione SMILES: CC1=CC=CC2=C1C(=O)OC2=O

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Specifications

PubChem CID	98500
CAS	4792-30-7
Molecular Weight (g/mol)	162.14
MDL Number	MFCD00047316
SMILES	CC1=CC=CC2=C1C(=O)OC2=O
Synonym	3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb
IUPAC Name	4-methyl-2-benzofuran-1,3-dione
InChI Key	TWWAWPHAOPTQEU-UHFFFAOYSA-N
Molecular Formula	C9H6O3

3,815

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Pyrrolo[2,1-f][1,2,4]triazin-4-amine, Thermo Scientific Chemicals

CAS: 159326-68-8 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD08234647 InChI Key: VSPXQZSDPSOPRO-UHFFFAOYSA-N IUPAC Name: pyrrolo[2,1-f][1,2,4]triazin-4-amine SMILES: NC1=NC=NN2C=CC=C12

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Specifications

CAS	159326-68-8
Molecular Weight (g/mol)	134.14
MDL Number	MFCD08234647
SMILES	NC1=NC=NN2C=CC=C12
IUPAC Name	pyrrolo[2,1-f][1,2,4]triazin-4-amine
InChI Key	VSPXQZSDPSOPRO-UHFFFAOYSA-N
Molecular Formula	C6H6N4

3,816

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4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, 97%

CAS: 82925-02-8 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.41 MDL Number: MFCD04974539 InChI Key: DGOOLMGPMIHRFY-UHFFFAOYSA-N Synonym: 4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl aniline,4-2-6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl ethyl aniline,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl-benzenamine,4-2-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl ethyl aniline,benzenamine,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl,4-2-6,7-dimethoxy-3,4-dihydroisoquinoline-2 1h-yl-ethyl-benzenamine,4-2-1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl ethyl benzenamine,4-2-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl ethyl benzenamine,4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl benzenamine PubChem CID: 10041227 IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline SMILES: COC1=C(OC)C=C2CN(CCC3=CC=C(N)C=C3)CCC2=C1

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Specifications

PubChem CID	10041227
CAS	82925-02-8
Molecular Weight (g/mol)	312.41
MDL Number	MFCD04974539
SMILES	COC1=C(OC)C=C2CN(CCC3=CC=C(N)C=C3)CCC2=C1
Synonym	4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl aniline,4-2-6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl ethyl aniline,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl-benzenamine,4-2-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl ethyl aniline,benzenamine,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl,4-2-6,7-dimethoxy-3,4-dihydroisoquinoline-2 1h-yl-ethyl-benzenamine,4-2-1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl ethyl benzenamine,4-2-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl ethyl benzenamine,4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl benzenamine
IUPAC Name	4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
InChI Key	DGOOLMGPMIHRFY-UHFFFAOYSA-N
Molecular Formula	C19H24N2O2

3,817

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2-Amino-5-chloropyridine, 98%

CAS: 1072-98-6 Molecular Formula: C₅H₅ClN₂ Molecular Weight (g/mol): 128.56 MDL Number: MFCD00006324 InChI Key: MAXBVGJEFDMHNV-UHFFFAOYSA-N Synonym: 2-amino-5-chloropyridine,2-pyridinamine, 5-chloro,5-chloro-2-pyridinamine,5-chloro-2-pyridylamine,5-chloro-2-aminopyridine,5-chloro-pyridin-2-ylamine,amino 2--5-chloropyridine,pyridine, 2-amino-5-chloro,2-amino-5-chloro pyridine,2-amino5-chloropyridine PubChem CID: 66174 IUPAC Name: 5-chloropyridin-2-amine SMILES: C1=CC(=NC=C1Cl)N

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Specifications

PubChem CID	66174
CAS	1072-98-6
Molecular Weight (g/mol)	128.56
MDL Number	MFCD00006324
SMILES	C1=CC(=NC=C1Cl)N
Synonym	2-amino-5-chloropyridine,2-pyridinamine, 5-chloro,5-chloro-2-pyridinamine,5-chloro-2-pyridylamine,5-chloro-2-aminopyridine,5-chloro-pyridin-2-ylamine,amino 2--5-chloropyridine,pyridine, 2-amino-5-chloro,2-amino-5-chloro pyridine,2-amino5-chloropyridine
IUPAC Name	5-chloropyridin-2-amine
InChI Key	MAXBVGJEFDMHNV-UHFFFAOYSA-N
Molecular Formula	C₅H₅ClN₂

3,818

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2-Amino-4-methylpyrimidine, 97%

CAS: 108-52-1 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006101 InChI Key: GHCFWKFREBNSPC-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine PubChem CID: 7939 IUPAC Name: 4-methylpyrimidin-2-amine SMILES: CC1=NC(=NC=C1)N

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Specifications

PubChem CID	7939
CAS	108-52-1
Molecular Weight (g/mol)	109.132
MDL Number	MFCD00006101
SMILES	CC1=NC(=NC=C1)N
Synonym	2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine
IUPAC Name	4-methylpyrimidin-2-amine
InChI Key	GHCFWKFREBNSPC-UHFFFAOYSA-N
Molecular Formula	C5H7N3

3,819

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3-Bromo-2-fluoro-5-nitropyridine, 97%

CAS: 1868-58-2 Molecular Formula: C5H2BrFN2O2 Molecular Weight (g/mol): 220.99 MDL Number: MFCD08703668 InChI Key: NLLPMLSUMJHTCJ-UHFFFAOYSA-N Synonym: 2-fluoro-3-bromo-5-nitropyridine,acmc-1celf,3-bromanyl-2-fluoranyl-5-nitro-pyridine PubChem CID: 345124 IUPAC Name: 3-bromo-2-fluoro-5-nitropyridine SMILES: [O-][N+](=O)C1=CN=C(F)C(Br)=C1

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Specifications

PubChem CID	345124
CAS	1868-58-2
Molecular Weight (g/mol)	220.99
MDL Number	MFCD08703668
SMILES	[O-][N+](=O)C1=CN=C(F)C(Br)=C1
Synonym	2-fluoro-3-bromo-5-nitropyridine,acmc-1celf,3-bromanyl-2-fluoranyl-5-nitro-pyridine
IUPAC Name	3-bromo-2-fluoro-5-nitropyridine
InChI Key	NLLPMLSUMJHTCJ-UHFFFAOYSA-N
Molecular Formula	C5H2BrFN2O2

3,820

Imidazo[2,1-b]thiazole-6-carbaldehyde 97+%, Thermo Scientific™

CAS: 120107-61-1 Molecular Formula: C6H4N2OS Molecular Weight (g/mol): 152.171 InChI Key: VYBDPAAWKNKEKY-UHFFFAOYSA-N Synonym: imidazo 2,1-b thiazole-6-carbaldehyde,imidazo 2,1-b 1,3 thiazole-6-carbaldehyde,imidazo 2,1-b thiazole-6-carboxaldehyde,acmc-20moqu,imidazo 2,1-b 1,3-thiazoline-6-carbaldehyde,imidazo 2,1-b 1,3 thiazole-6-carboxaldehyde,imidazo 2,1-b thiazole-6-carboxaldehydeimidazo PubChem CID: 4961258 IUPAC Name: imidazo[2,1-b][1,3]thiazole-6-carbaldehyde SMILES: C1=CSC2=NC(=CN21)C=O

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Specifications

PubChem CID	4961258
CAS	120107-61-1
Molecular Weight (g/mol)	152.171
SMILES	C1=CSC2=NC(=CN21)C=O
Synonym	imidazo 2,1-b thiazole-6-carbaldehyde,imidazo 2,1-b 1,3 thiazole-6-carbaldehyde,imidazo 2,1-b thiazole-6-carboxaldehyde,acmc-20moqu,imidazo 2,1-b 1,3-thiazoline-6-carbaldehyde,imidazo 2,1-b 1,3 thiazole-6-carboxaldehyde,imidazo 2,1-b thiazole-6-carboxaldehydeimidazo
IUPAC Name	imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
InChI Key	VYBDPAAWKNKEKY-UHFFFAOYSA-N
Molecular Formula	C6H4N2OS

3,821

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1-n-Butylpyridinium chloride, 98%

CAS: 1124-64-7 Molecular Formula: C9H14ClN Molecular Weight (g/mol): 171.668 MDL Number: MFCD00060047 InChI Key: POKOASTYJWUQJG-UHFFFAOYSA-M Synonym: 1-butylpyridinium chloride,1-butylpyridin-1-ium chloride,n-butylpyridinium chloride,butylpyridinium chloride,dsstox_cid_11462,dsstox_rid_78879,dsstox_gsid_31462,unii-f8m63j351a,butylpyridiniumchloride,butylpyridine, chloride PubChem CID: 2734171 IUPAC Name: 1-butylpyridin-1-ium;chloride SMILES: CCCC[N+]1=CC=CC=C1.[Cl-]

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Specifications

PubChem CID	2734171
CAS	1124-64-7
Molecular Weight (g/mol)	171.668
MDL Number	MFCD00060047
SMILES	CCCC[N+]1=CC=CC=C1.[Cl-]
Synonym	1-butylpyridinium chloride,1-butylpyridin-1-ium chloride,n-butylpyridinium chloride,butylpyridinium chloride,dsstox_cid_11462,dsstox_rid_78879,dsstox_gsid_31462,unii-f8m63j351a,butylpyridiniumchloride,butylpyridine, chloride
IUPAC Name	1-butylpyridin-1-ium;chloride
InChI Key	POKOASTYJWUQJG-UHFFFAOYSA-M
Molecular Formula	C9H14ClN

3,822

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PubChem CID	79434
CAS	5413-85-4
Molecular Weight (g/mol)	163.99
MDL Number	MFCD00006108
SMILES	NC1=C(Cl)N=CN=C1Cl
Synonym	5-amino-4,6-dichloropyrimidine,5-pyrimidinamine, 4,6-dichloro,4,6-dichloro-5-pyrimidinamine,4,6-dichloro-5-aminopyrimidine,4,6-dichloropyrimidin-5-ylamine,5-amine-4,6-dichloropyrimidine,5-amino-4,6-dichloropyfimidine,4,6-dichloro-pyrimidin-5-ylamine,pyrimidine, 5-amino-4,6-dichloro,4,6-dichloropyrimidine-5-ylamine
IUPAC Name	4,6-dichloropyrimidin-5-amine
InChI Key	NIGDWBHWHVHOAD-UHFFFAOYSA-N
Molecular Formula	C4H3Cl2N3

3,823

2-Anilinopyrimidine-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 450368-25-9 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD09864415 InChI Key: ZPIYMRAJXNMUPE-UHFFFAOYSA-N Synonym: 2-phenylamino pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenylamino,2-anilino-5-pyrimidinecarboxylic acid,2-anilinopyrimidine-5-carboxylic acid PubChem CID: 23509722 IUPAC Name: 2-anilinopyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(NC2=CC=CC=C2)N=C1

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Specifications

PubChem CID	23509722
CAS	450368-25-9
Molecular Weight (g/mol)	215.21
MDL Number	MFCD09864415
SMILES	OC(=O)C1=CN=C(NC2=CC=CC=C2)N=C1
Synonym	2-phenylamino pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenylamino,2-anilino-5-pyrimidinecarboxylic acid,2-anilinopyrimidine-5-carboxylic acid
IUPAC Name	2-anilinopyrimidine-5-carboxylic acid
InChI Key	ZPIYMRAJXNMUPE-UHFFFAOYSA-N
Molecular Formula	C11H9N3O2

3,824

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1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

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Specifications

PubChem CID	2734236
CAS	85100-77-2
Molecular Weight (g/mol)	219.126
MDL Number	MFCD03427611
SMILES	CCCCN1C=C[N+](=C1)C.[Br-]
Synonym	1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
IUPAC Name	1-butyl-3-methylimidazol-3-ium;bromide
InChI Key	KYCQOKLOSUBEJK-UHFFFAOYSA-M
Molecular Formula	C8H15BrN2

3,825

4-Methyl-1,3-thiazole-2-carboxylic acid, 97%

CAS: 14542-16-6 Molecular Formula: C₅H₅NO₂S Molecular Weight (g/mol): 143.17 MDL Number: MFCD07377486 InChI Key: GNGDWDFLILPTKL-UHFFFAOYSA-N Synonym: 4-methylthiazole-2-carboxylic acid,4-methyl-thiazole-2-carboxylic acid,4-methyl-2-thiazolecarboxylic acid,2-thiazolecarboxylicacid, 4-methyl,2-thiazolecarboxylic acid, 4-methyl,acmc-209cuz,4-methyl-2-carboxythiazole,ksc173q1t,4-methylthiazole-2-carboxylicacid PubChem CID: 22499336 IUPAC Name: 4-methyl-1,3-thiazole-2-carboxylic acid SMILES: CC1=CSC(=N1)C(=O)O

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Specifications

PubChem CID	22499336
CAS	14542-16-6
Molecular Weight (g/mol)	143.17
MDL Number	MFCD07377486
SMILES	CC1=CSC(=N1)C(=O)O
Synonym	4-methylthiazole-2-carboxylic acid,4-methyl-thiazole-2-carboxylic acid,4-methyl-2-thiazolecarboxylic acid,2-thiazolecarboxylicacid, 4-methyl,2-thiazolecarboxylic acid, 4-methyl,acmc-209cuz,4-methyl-2-carboxythiazole,ksc173q1t,4-methylthiazole-2-carboxylicacid
IUPAC Name	4-methyl-1,3-thiazole-2-carboxylic acid
InChI Key	GNGDWDFLILPTKL-UHFFFAOYSA-N
Molecular Formula	C₅H₅NO₂S

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