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CAS Number: 110099-94-0
2-(methylthio)pyrimidine-5-carboxylic acid

Structure

 2-(methylthio)pyrimidine-5-carboxylic acid
Name: 2-(methylthio)pyrimidine-5-carboxylic acid
Synonyms:
General Information
Product Number: 110099940

CAS Registry Number 110099-94-0
Name:
5-?P2-(Methylthio)pyrimidine-5-carboxylic acid
2-Methylsulfanylpyrimidine-5-carboxylic acid

 

Chemical Formula: C6H6N2O2S
Exact Mass: 170.01
Molecular Weight: 170.19
m/z: 170.01 (100.0%), 171.02 (6.6%), 172.01 (4.5%), 171.01 (1.5%)

 

InChI:InChI=1S/C6H6N2O2S/c1-11-6-7-2-4(3-8-6)5(9)10/h2-3H,1H3,(H,9,10)

InChI Key:BIJIAHGQTQWGJB-UHFFFAOYSA-N

Canonical SMILES:CSC1=NC=C(C=N1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 264-266 °C   (1)CAS

Specification

98%
References
  1. (1) Liu, Yu-Xiu; Journal of Chemical Research 2007, (8), P490-493 CAPLUS
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