Organoheterocyclic compounds
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6,9-Dichloro-2-methoxyacridine, 98%
CAS: 86-38-4 Molecular Formula: C14H9Cl2NO Molecular Weight (g/mol): 278.132 MDL Number: MFCD00005028 InChI Key: RYRNQWYNHLLOGX-UHFFFAOYSA-N Synonym: halocrin,3,9-dichloro-7-methoxyacridine,halocrine,6.9-dichloro-2-methoxyacridine,2-methoxy-6,9-dichloroacridine,acridine,9-dichloro-2-methoxy,acridine, 6,9-dichloro-2-methoxy,bidd:gt0206,6,9dichloro-2-methoxyacridine,6,9-dichloro-2-methoxy-acridine PubChem CID: 66577 IUPAC Name: 6,9-dichloro-2-methoxyacridine SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl
| PubChem CID | 66577 |
|---|---|
| CAS | 86-38-4 |
| Molecular Weight (g/mol) | 278.132 |
| MDL Number | MFCD00005028 |
| SMILES | COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl |
| Synonym | halocrin,3,9-dichloro-7-methoxyacridine,halocrine,6.9-dichloro-2-methoxyacridine,2-methoxy-6,9-dichloroacridine,acridine,9-dichloro-2-methoxy,acridine, 6,9-dichloro-2-methoxy,bidd:gt0206,6,9dichloro-2-methoxyacridine,6,9-dichloro-2-methoxy-acridine |
| IUPAC Name | 6,9-dichloro-2-methoxyacridine |
| InChI Key | RYRNQWYNHLLOGX-UHFFFAOYSA-N |
| Molecular Formula | C14H9Cl2NO |
2,5-Diphenyloxazole, 99%
CAS: 92-71-7 Molecular Formula: C15H11NO Molecular Weight (g/mol): 221.26 MDL Number: MFCD00005306 InChI Key: CNRNYORZJGVOSY-UHFFFAOYSA-N Synonym: 2,5-diphenyloxazole,oxazole, 2,5-diphenyl,tritosol,2,5-diphenyl-oxazole,ppo scintillator,dpo scintillator,usaf ek-6775,ppo van,ppo,ppo scintillator van PubChem CID: 7105 IUPAC Name: 2,5-diphenyl-1,3-oxazole SMILES: O1C(=CN=C1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7105 |
|---|---|
| CAS | 92-71-7 |
| Molecular Weight (g/mol) | 221.26 |
| MDL Number | MFCD00005306 |
| SMILES | O1C(=CN=C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,5-diphenyloxazole,oxazole, 2,5-diphenyl,tritosol,2,5-diphenyl-oxazole,ppo scintillator,dpo scintillator,usaf ek-6775,ppo van,ppo,ppo scintillator van |
| IUPAC Name | 2,5-diphenyl-1,3-oxazole |
| InChI Key | CNRNYORZJGVOSY-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO |
4-Chloro-3-methylpyridine hydrochloride, 97%, Thermo Scientific Chemicals
CAS: 19524-08-4 Molecular Formula: C6H7Cl2N Molecular Weight (g/mol): 164.029 MDL Number: MFCD03092890 InChI Key: WPIUSHWGBZMBHZ-UHFFFAOYSA-N Synonym: 4-chloro-3-methylpyridine hydrochloride,4-chloro-3-picoline hcl,4-chloro-3-methylpyridine hcl,4-chloro-3-picoline hydrochloride,pyridine, 4-chloro-3-methyl-, hydrochloride,4-chloro-3-methylpyridinehydrochloride,acmc-20amlc,pubchem9218,ksc495e6r,4-chloro-3methylpyridine hydrochloride PubChem CID: 16217655 IUPAC Name: 4-chloro-3-methylpyridine;hydrochloride SMILES: CC1=C(C=CN=C1)Cl.Cl
| PubChem CID | 16217655 |
|---|---|
| CAS | 19524-08-4 |
| Molecular Weight (g/mol) | 164.029 |
| MDL Number | MFCD03092890 |
| SMILES | CC1=C(C=CN=C1)Cl.Cl |
| Synonym | 4-chloro-3-methylpyridine hydrochloride,4-chloro-3-picoline hcl,4-chloro-3-methylpyridine hcl,4-chloro-3-picoline hydrochloride,pyridine, 4-chloro-3-methyl-, hydrochloride,4-chloro-3-methylpyridinehydrochloride,acmc-20amlc,pubchem9218,ksc495e6r,4-chloro-3methylpyridine hydrochloride |
| IUPAC Name | 4-chloro-3-methylpyridine;hydrochloride |
| InChI Key | WPIUSHWGBZMBHZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl2N |
Imidazo[1,2-a]pyridin-2-ylmethanol, ≥90%, Thermo Scientific™
CAS: 82090-52-6 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD06797471 InChI Key: ROPHYEIJSUUKEO-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridin-2-ylmethanol,imidazo 1,2-a pyridine-2-methanol,h-imidazo 1,2-a pyridin-2-yl methanol,2-hydroxymethyl imidazo 1,2-a pyridine,imidazo 1,2-a pyridin-2-yl methanol,imidazo 1,2-a-pyridin-2-ylmethanol,4-hydroimidazo 1,2-a pyridin-2-ylmethan-1-ol,imidazo 1,2-a pyridine-2-ylmethanol PubChem CID: 2795540 SMILES: OCC1=CN2C=CC=CC2=N1
| PubChem CID | 2795540 |
|---|---|
| CAS | 82090-52-6 |
| Molecular Weight (g/mol) | 148.17 |
| MDL Number | MFCD06797471 |
| SMILES | OCC1=CN2C=CC=CC2=N1 |
| Synonym | imidazo 1,2-a pyridin-2-ylmethanol,imidazo 1,2-a pyridine-2-methanol,h-imidazo 1,2-a pyridin-2-yl methanol,2-hydroxymethyl imidazo 1,2-a pyridine,imidazo 1,2-a pyridin-2-yl methanol,imidazo 1,2-a-pyridin-2-ylmethanol,4-hydroimidazo 1,2-a pyridin-2-ylmethan-1-ol,imidazo 1,2-a pyridine-2-ylmethanol |
| InChI Key | ROPHYEIJSUUKEO-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
Thiophene-3-carbonitrile, 98%
CAS: 1641-09-4 Molecular Formula: C5H3NS Molecular Weight (g/mol): 109.146 MDL Number: MFCD00151852 InChI Key: GSXCEVHRIVLFJV-UHFFFAOYSA-N Synonym: 3-cyanothiophene,3-thiophenecarbonitrile,thiophene-3-nitrile,pubchem5508,pubchem12351,acmc-209dqk,ksc176g4h PubChem CID: 74231 IUPAC Name: thiophene-3-carbonitrile SMILES: C1=CSC=C1C#N
| PubChem CID | 74231 |
|---|---|
| CAS | 1641-09-4 |
| Molecular Weight (g/mol) | 109.146 |
| MDL Number | MFCD00151852 |
| SMILES | C1=CSC=C1C#N |
| Synonym | 3-cyanothiophene,3-thiophenecarbonitrile,thiophene-3-nitrile,pubchem5508,pubchem12351,acmc-209dqk,ksc176g4h |
| IUPAC Name | thiophene-3-carbonitrile |
| InChI Key | GSXCEVHRIVLFJV-UHFFFAOYSA-N |
| Molecular Formula | C5H3NS |
(+/-)-1,4-Diazabicyclo[4.4.0]decane, 98+%
CAS: 4430-75-5 Molecular Formula: C8H16N2 Molecular Weight (g/mol): 140.23 MDL Number: MFCD01098257 InChI Key: ONHPOXROAPYCGT-UHFFFAOYNA-N Synonym: octahydro-1h-pyrido 1,2-a pyrazine,octahydro-2h-pyrido 1,2-a pyrazine,octahydro-pyrido 1,2-a pyrazine,1,4-diazabicyclo 4.4.0 decane,octahydro-1h-pyrido 1,2-a piperazine,chembl98511,octahydropyrido 1,2-a pyrazine,2,3,4,6,7,8,9,9a-octahydro-1h-pyrido 1,2-a pyrazine,+/--1,4-diazabicyclo,octahydropyrido 1,2-a-pyrazine PubChem CID: 2876391 IUPAC Name: octahydro-1H-pyrido[1,2-a]pyrazine SMILES: C1CCN2CCNCC2C1
| PubChem CID | 2876391 |
|---|---|
| CAS | 4430-75-5 |
| Molecular Weight (g/mol) | 140.23 |
| MDL Number | MFCD01098257 |
| SMILES | C1CCN2CCNCC2C1 |
| Synonym | octahydro-1h-pyrido 1,2-a pyrazine,octahydro-2h-pyrido 1,2-a pyrazine,octahydro-pyrido 1,2-a pyrazine,1,4-diazabicyclo 4.4.0 decane,octahydro-1h-pyrido 1,2-a piperazine,chembl98511,octahydropyrido 1,2-a pyrazine,2,3,4,6,7,8,9,9a-octahydro-1h-pyrido 1,2-a pyrazine,+/--1,4-diazabicyclo,octahydropyrido 1,2-a-pyrazine |
| IUPAC Name | octahydro-1H-pyrido[1,2-a]pyrazine |
| InChI Key | ONHPOXROAPYCGT-UHFFFAOYNA-N |
| Molecular Formula | C8H16N2 |
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid hydrate, 95%, Thermo Scientific™
CAS: 1858251-06-5 Molecular Formula: C9H7F3N2O3 Molecular Weight (g/mol): 248.161 MDL Number: MFCD22682819 InChI Key: HECZGTGLQVJBSB-UHFFFAOYSA-N Synonym: 6-trifluoromethyl imidazo 1,2-a pyridine-2-carboxylic acid hydrate PubChem CID: 112758303 IUPAC Name: 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydrate SMILES: C1=CC2=NC(=CN2C=C1C(F)(F)F)C(=O)O.O
| PubChem CID | 112758303 |
|---|---|
| CAS | 1858251-06-5 |
| Molecular Weight (g/mol) | 248.161 |
| MDL Number | MFCD22682819 |
| SMILES | C1=CC2=NC(=CN2C=C1C(F)(F)F)C(=O)O.O |
| Synonym | 6-trifluoromethyl imidazo 1,2-a pyridine-2-carboxylic acid hydrate |
| IUPAC Name | 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydrate |
| InChI Key | HECZGTGLQVJBSB-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3N2O3 |
(2-Methyl-4-phenyl-1,3-thiazol-5-yl)methanol, 97%, Thermo Scientific™
CAS: 857284-12-9 Molecular Formula: C11H11NOS Molecular Weight (g/mol): 205.275 MDL Number: MFCD08690247 InChI Key: RBRYERMYEBFVAB-UHFFFAOYSA-N Synonym: 2-methyl-4-phenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2-methyl-4-phenyl,2-methyl-4-phenylthiazol-5-yl methanol,2-methyl-4-phenyl-1,3-thiazol-5-yl methan-1-ol PubChem CID: 18525756 IUPAC Name: (2-methyl-4-phenyl-1,3-thiazol-5-yl)methanol SMILES: CC1=NC(=C(S1)CO)C2=CC=CC=C2
| PubChem CID | 18525756 |
|---|---|
| CAS | 857284-12-9 |
| Molecular Weight (g/mol) | 205.275 |
| MDL Number | MFCD08690247 |
| SMILES | CC1=NC(=C(S1)CO)C2=CC=CC=C2 |
| Synonym | 2-methyl-4-phenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2-methyl-4-phenyl,2-methyl-4-phenylthiazol-5-yl methanol,2-methyl-4-phenyl-1,3-thiazol-5-yl methan-1-ol |
| IUPAC Name | (2-methyl-4-phenyl-1,3-thiazol-5-yl)methanol |
| InChI Key | RBRYERMYEBFVAB-UHFFFAOYSA-N |
| Molecular Formula | C11H11NOS |
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride, 97+%, Thermo Scientific™
CAS: 519056-67-8 Molecular Formula: C5H4ClF3N2O2S Molecular Weight (g/mol): 248.604 InChI Key: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
| PubChem CID | 2794561 |
|---|---|
| CAS | 519056-67-8 |
| Molecular Weight (g/mol) | 248.604 |
| SMILES | CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl |
| Synonym | 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl |
| IUPAC Name | 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride |
| InChI Key | HJFWSNIHZZKYIK-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClF3N2O2S |
2-Bromo-5-nitropyridine, 98%, Thermo Scientific Chemicals
CAS: 4487-59-6 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD00006222 InChI Key: HUUFTVUBFFESEN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitro pyridine,2-bromo-5-nitro-pyridine,5-nitro-2-bromopyridine,2-brom-5-nitropyridin,pubchem1183,acmc-1agnm,2-bromo-5-nitro-pyridin,ksc237s9f,tpc-py095 PubChem CID: 78240 IUPAC Name: 2-bromo-5-nitropyridine SMILES: [O-][N+](=O)C1=CC=C(Br)N=C1
| PubChem CID | 78240 |
|---|---|
| CAS | 4487-59-6 |
| Molecular Weight (g/mol) | 203.00 |
| MDL Number | MFCD00006222 |
| SMILES | [O-][N+](=O)C1=CC=C(Br)N=C1 |
| Synonym | 2-bromo-5-nitro pyridine,2-bromo-5-nitro-pyridine,5-nitro-2-bromopyridine,2-brom-5-nitropyridin,pubchem1183,acmc-1agnm,2-bromo-5-nitro-pyridin,ksc237s9f,tpc-py095 |
| IUPAC Name | 2-bromo-5-nitropyridine |
| InChI Key | HUUFTVUBFFESEN-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O2 |
1,2,3-Benzothiadiazole-5-carbonyl chloride, 95%, Thermo Scientific™
CAS: 321309-32-4 Molecular Formula: C7H3ClN2OS Molecular Weight (g/mol): 198.624 InChI Key: VOSTUOLSYXVSND-UHFFFAOYSA-N Synonym: 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride PubChem CID: 2735457 IUPAC Name: 1,2,3-benzothiadiazole-5-carbonyl chloride SMILES: C1=CC2=C(C=C1C(=O)Cl)N=NS2
| PubChem CID | 2735457 |
|---|---|
| CAS | 321309-32-4 |
| Molecular Weight (g/mol) | 198.624 |
| SMILES | C1=CC2=C(C=C1C(=O)Cl)N=NS2 |
| Synonym | 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride |
| IUPAC Name | 1,2,3-benzothiadiazole-5-carbonyl chloride |
| InChI Key | VOSTUOLSYXVSND-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClN2OS |
4-(9-Carbazolyl)benzeneboronic acid, 98%
CAS: 419536-33-7 Molecular Formula: C18H14BNO2 Molecular Weight (g/mol): 287.13 MDL Number: MFCD13176534 InChI Key: JGAVTCVHDMOQTJ-UHFFFAOYSA-N Synonym: 4-9h-carbazol-9-yl phenyl boronic acid,4-9h-carbozol-9-yl phenylboronic acid,4-9h-carbazol-9-yl phenylboronic acid,4-9-carbazolyl benzeneboronic acid,4-9h-9-carbozale phenylboronic acid,4-9-carbazolyl phenylboronic acid,4-carbazol-9-yl phenylboronic acid,boronic acid, 4-9h-carbazol-9-yl phenyl,amtb338 PubChem CID: 23120827 SMILES: OB(O)C1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC=C2
| PubChem CID | 23120827 |
|---|---|
| CAS | 419536-33-7 |
| Molecular Weight (g/mol) | 287.13 |
| MDL Number | MFCD13176534 |
| SMILES | OB(O)C1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonym | 4-9h-carbazol-9-yl phenyl boronic acid,4-9h-carbozol-9-yl phenylboronic acid,4-9h-carbazol-9-yl phenylboronic acid,4-9-carbazolyl benzeneboronic acid,4-9h-9-carbozale phenylboronic acid,4-9-carbazolyl phenylboronic acid,4-carbazol-9-yl phenylboronic acid,boronic acid, 4-9h-carbazol-9-yl phenyl,amtb338 |
| InChI Key | JGAVTCVHDMOQTJ-UHFFFAOYSA-N |
| Molecular Formula | C18H14BNO2 |
2,4,5-Trimethyl-3-pyridinol, 97%, Thermo Scientific Chemicals
CAS: 5622-78-6 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD17015035 InChI Key: OIXVDFZUALXJNM-UHFFFAOYSA-N Synonym: 2,4,5-trimethyl-3-pyridinol,2,4,5-trimethylpyridine-3-ol PubChem CID: 59900635 IUPAC Name: 2,4,5-trimethylpyridin-3-ol SMILES: CC1=CN=C(C(=C1C)O)C
| PubChem CID | 59900635 |
|---|---|
| CAS | 5622-78-6 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD17015035 |
| SMILES | CC1=CN=C(C(=C1C)O)C |
| Synonym | 2,4,5-trimethyl-3-pyridinol,2,4,5-trimethylpyridine-3-ol |
| IUPAC Name | 2,4,5-trimethylpyridin-3-ol |
| InChI Key | OIXVDFZUALXJNM-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Amino-5-bromo-3-hydroxypyridine, 95%, Thermo Scientific Chemicals
CAS: 39903-01-0 Molecular Formula: C5H5BrN2O Molecular Weight (g/mol): 189.01 MDL Number: MFCD09744143 InChI Key: YQADLKDQAXAIKW-UHFFFAOYSA-N Synonym: 2-amino-5-bromo-3-pyridinol,2-amino-5-bromo-3-hydroxypyridine,2-amino-3-hydroxy-5-bromopyridine,3-pyridinol, 2-amino-5-bromo,2-amino-5-bromo-pyridin-3-ol,2-amino-5-bromopyridine-3-ol,acmc-209j8w,2-amino-5-bromopryidin-3-ol,2-amino-3-hydroxy-5-bromo pyridine,5-bromo-3-hydroxy-2-amino-pyridine PubChem CID: 11694041 IUPAC Name: 2-amino-5-bromopyridin-3-ol SMILES: NC1=NC=C(Br)C=C1O
| PubChem CID | 11694041 |
|---|---|
| CAS | 39903-01-0 |
| Molecular Weight (g/mol) | 189.01 |
| MDL Number | MFCD09744143 |
| SMILES | NC1=NC=C(Br)C=C1O |
| Synonym | 2-amino-5-bromo-3-pyridinol,2-amino-5-bromo-3-hydroxypyridine,2-amino-3-hydroxy-5-bromopyridine,3-pyridinol, 2-amino-5-bromo,2-amino-5-bromo-pyridin-3-ol,2-amino-5-bromopyridine-3-ol,acmc-209j8w,2-amino-5-bromopryidin-3-ol,2-amino-3-hydroxy-5-bromo pyridine,5-bromo-3-hydroxy-2-amino-pyridine |
| IUPAC Name | 2-amino-5-bromopyridin-3-ol |
| InChI Key | YQADLKDQAXAIKW-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2O |
2,4-Dimethyl-1,3-thiazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 53137-27-2 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.187 InChI Key: MQGBARXPCXAFRZ-UHFFFAOYSA-N Synonym: 2,4-dimethylthiazole-5-carboxylic acid,dimethyl-1,3-thiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 2,4-dimethyl,2,4-dimethyl-5-thiazolecarboxylic acid,2,4-dimethyl-thiazole-5-carboxylic acid,2,4-dimethylthiazole-5-carboxylicacid,ksc269g8n,2,4-dimethylthiazol-5-carboxylic acid,2,4-dimethylthiazole-5carboxylic acid,2 4-dimethylthiazole-5-carboxylic acid PubChem CID: 736488 IUPAC Name: 2,4-dimethyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C)C(=O)O
| PubChem CID | 736488 |
|---|---|
| CAS | 53137-27-2 |
| Molecular Weight (g/mol) | 157.187 |
| SMILES | CC1=C(SC(=N1)C)C(=O)O |
| Synonym | 2,4-dimethylthiazole-5-carboxylic acid,dimethyl-1,3-thiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 2,4-dimethyl,2,4-dimethyl-5-thiazolecarboxylic acid,2,4-dimethyl-thiazole-5-carboxylic acid,2,4-dimethylthiazole-5-carboxylicacid,ksc269g8n,2,4-dimethylthiazol-5-carboxylic acid,2,4-dimethylthiazole-5carboxylic acid,2 4-dimethylthiazole-5-carboxylic acid |
| IUPAC Name | 2,4-dimethyl-1,3-thiazole-5-carboxylic acid |
| InChI Key | MQGBARXPCXAFRZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2S |