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CAS Number: 76872-69-0
2-chloro-1,4-dihydrothieno[3,4-d]pyrimidine

Structure

 2-chloro-1,4-dihydrothieno[3,4-d]pyrimidine
Name: 2-chloro-1,4-dihydrothieno[3,4-d]pyrimidine
Synonyms:
General Information
Product Number: 76872690

CAS Registry Number 76872-69-0
Name:
Thieno[3,?4-?d]?pyrimidine, 2-?chloro-?1,?4-?dihydro-
2-Chloro-1,4-dihydrothieno[3,4-d]pyrimidine

 

Chemical Formula: C6H5ClN2S
Exact Mass: 171.99
Molecular Weight: 172.64
m/z: 171.99 (100.0%), 173.98 (36.5%), 172.99 (7.3%), 174.99 (2.4%), 175.98 (1.5%)

 

InChI:InChI=1S/C6H5ClN2S/c7-6-8-1-4-2-10-3-5(4)9-6/h2-3H,1H2,(H,8,9)

InChI Key:FXQQPQKESXSNTC-UHFFFAOYSA-N

Canonical SMILES:C1C2=CSC=C2NC(=N1)Cl

 

Thermal Properties Value Condition Note
Melting Point 130-132 °C   (1)IC
Melting Point 130-131 °C Solv: acetone (67-64-1) (2)IC

Specification

98%
References
  1. (1) Yamaguchi, Hitoshi; Journal of Heterocyclic Chemistry 1981, V18, P67-70 CAPLUS
  2. (2) Ishikawa, Fumiyoshi; Journal of Medicinal Chemistry 1981, V24(4), P376-82 CAPLUS
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