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CAS Number: 18103-75-8
3-mercaptoisonicotinic acid

Structure

 3-mercaptoisonicotinic acid
Name: 3-mercaptoisonicotinic acid
Synonyms:
General Information
Product Number: 18103758

CAS Registry Number 18103-75-8
Name:
4-?Pyridinecarboxylic acid, 3-?mercapto-
Isonicotinic acid, 3-mercapto- (8CI)
3-Mercapto-4-pyridinecarboxylic acid
3-Mercaptoisonicotinic acid

 

Chemical Formula: C6H5NO2S
Exact Mass: 155.00
Molecular Weight: 155.17
m/z: 155.00 (100.0%), 156.01 (6.6%), 157.00 (4.5%), 156.00 (1.2%)

 

InChI:InChI=1S/C6H5NO2S/c8-6(9)4-1-2-7-3-5(4)10/h1-3,10H,(H,8,9)

InChI Key:FRRCVAYPJRENEV-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CC(=C1C(=O)O)S

 

Thermal Properties Value Condition Note
Melting Point 259 °C   (1)IC
Melting Point 225 °C   (2)CAS
Melting Point 216 °C   (3)CAS

Specification

98%
References
  1. (1) Lejeune, R.; Journal de Pharmacie de Belgique 1980, V35(2), P98-102 CAPLUS
  2. (2) Sucharda, E.; Roczniki Chemii 1932, V12, P493-9 CAPLUS
  3. (3) Fox, H. Herbert; Journal of Organic Chemistry 1958, V23, P64-6 CAPLUS
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