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CAS Number: 13316-12-6
7-chlorothiazolo[5,4-d]pyrimidine

Structure

7-chlorothiazolo[5,4-d]pyrimidine
Name: 7-chlorothiazolo[5,4-d]pyrimidine
Synonyms:
General Information
Product Number: 13316126
CAS Registry Number:
13316-12-6
Name:
Thiazolo[5,4-d]pyrimidine, 7-chloro-
7-Chlorothiazolo[5,4-d]pyrimidine; NSC 97156 
 
Chemical Formula: C5H2ClN3S
Exact Mass: 170.97
Molecular Weight: 171.61
m/z: 170.97 (100.0%), 172.96 (36.5%), 171.97 (6.2%), 173.97 (1.7%), 174.96 (1.5%), 171.96 (1.1%)
Elemental Analysis: C, 34.99; H, 1.17; Cl, 20.66; N, 24.49; S, 18.69
 
InChI: InChI=1S/C5H2ClN3S/c6-4-3-5(8-1-7-4)10-2-9-3/h1-2H
InChIKey: HGYFXAHDBRHZGF-UHFFFAOYSA-N
Canonical SMILES : C1=NC2=C(C(=N1)Cl)N=CS2
 
Thermal Properties Value Condition Note
Melting Point 152-154 °C   (1)CAS
Melting Point 152-154 °C (decomp)   (2)CAS

Specification

98%

References
  1. (1) Marchal, L.; Bulletin des Societes Chimiques Belges 1960, V69, P177-93 CAPLUS
  2. (2) Marchal, R.; Bulletin des Societes Chimiques Belges 1957, V66, P406-8 CAPLUS
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