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CAS Number: 6311-83-7
6-mercaptopyrimidin-4(1H)-one

Structure

 6-mercaptopyrimidin-4(1H)-one
Name: 6-mercaptopyrimidin-4(1H)-one
Synonyms:
General Information
Product Number: 6311837

CAS Registry Number 6311-83-7
Name:
4(3H)?-?Pyrimidinone, 6-?mercapto-
4(1H)-Pyrimidinone, 6-mercapto- (9CI)
4-Pyrimidinol, 6-mercapto- (6CI,7CI,8CI)
6-Mercapto-4(3H)-pyrimidinone
6-Mercapto-4(1H)-pyrimidinone
NSC 43264

 

Chemical Formula: C4H4N2OS
Exact Mass: 128.00
Molecular Weight: 128.15
m/z: 128.00 (100.0%), 130.00 (4.6%), 129.01 (4.4%), 129.00 (1.5%)

 

InChI:InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

InChI Key:HTZGPEHWQCRXGZ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=C(S1)Cl

 

Thermal Properties Value Condition Note
Melting Point 247 °C Solv: water (7732-18-5) (1)CAS

Specification

98%
References
  1. (1) Koppel, Henry C.; Journal of Organic Chemistry 1961, V26, P792-803 CAPLUS
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