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CAS Number: 88768-45-0
2-(pyrimidin-2-ylthio)acetic acid

Structure

2-(pyrimidin-2-ylthio)acetic acid
Name: 2-(pyrimidin-2-ylthio)acetic acid
Synonyms:
General Information
Product Number: 88768450

CAS Registry Number 88768-45-0
Name:
Acetic acid, 2-​(2-​pyrimidinylthio)​-
Acetic acid, (2-pyrimidinylthio)- (6CI,9CI)
(2-Pyrimidylthio)acetic acid
(Pyrimidin-2-ylsulfanyl)acetic acid
2-(Carboxymethylthio)pyrimidine
4-Pyrimidylthioacetic 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/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)

InChI Key:NIEOYUNNKKAQKI-UHFFFAOYSA-N

Canonical SMILES:C1=CN=C(N=C1)SCC(=O)O

Specification

98%

References
  1. (1) Silva, Manuela Ramos; Acta Crystallographica, Section E: Structure Reports Online 2011, V67(2), Po340 CAPLUS
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