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CAS Number: 100859-88-9
3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Structure

3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Name: 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Synonyms:
General Information
Product Number: 100859889

CAS Registry Number 100859-88-9
Name:
1H-​Pyrazolo[3,​4-​d]​pyrimidine, 3-​chloro-​6-​(methylthio)​-

 

Chemical Formula: C6H5ClN4S
Exact Mass: 199.99
Molecular Weight: 200.65
m/z: 199.99 (100.0%), 201.99 (36.6%), 201.00 (6.5%), 202.99 (3.2%), 200.99 (2.3%), 203.99 (1.5%)

 

InChI:InChI=1S/C6H5ClN4S/c1-12-6-8-2-3-4(7)10-11-5(3)9-6/h2H,1H3,(H,8,9,10,11)

InChI Key:HXUMCGPDKBIKSQ-UHFFFAOYSA-N

Canonical SMILES:CSC1=NC2=NNC(=C2C=N1)Cl

 

Thermal Properties Value Condition Note
Melting Point 234-235 °C   (1)CAS

Specification

98%

References
  1. (1) Hauser, Martin; Journal of Organic Chemistry 1961, V26, P451-5 CAPLUS
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