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CAS Number: 61727-34-2
ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate

Structure

 ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Name: ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Synonyms:
General Information
Product Number: 61727342

CAS Registry Number 61727-34-2
Name:
5-?Pyrimidineacetic acid, 4-?chloro-?2-?(methylthio)?-?, ethyl ester
NSC 165400

 

Chemical Formula: C9H11ClN2O2S
Exact Mass: 246.02
Molecular Weight: 246.71
m/z: 246.02 (100.0%), 248.02 (36.6%), 247.03 (9.9%), 249.02 (4.1%), 250.02 (1.7%), 247.02 (1.5%)

 

InChI:InChI=1S/C9H11ClN2O2S/c1-3-14-7(13)4-6-5-11-9(15-2)12-8(6)10/h5H,3-4H2,1-2H3

InChI Key:NJCDAOMVXVONIU-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)CC1=CN=C(N=C1Cl)SC

 

Thermal Properties Value Condition Note
Melting Point 38-39 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)CAS

Specification

98%
References
  1. (1) Peters, Earl; Journal of Organic Chemistry 1960, V25, P2137-42 CAPLUS
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