2-Mercaptopyrimidine

Base Information

• Chemical Name: 2-Mercaptopyrimidine
• CAS No.: 53745-18-9
• Deprecated CAS: 107646-94-6,19351-11-2,847778-89-6,19351-11-2,847778-89-6
• Molecular Formula: C4H4 N2 S
• Molecular Weight: 114.16884
• European Community (EC) Number: 215-917-3,258-741-2
• NSC Number: 193522,48073
• UNII: T72Z5M7P5T
• DSSTox Substance ID: DTXSID6049220
• Nikkaji Number: J208.747B
• Wikidata: Q27124108
• Metabolomics Workbench ID: 58658
• ChEMBL ID: CHEMBL1688952
• Mol file: 53745-18-9.mol

Synonyms:2-mercapto pyrimidine;2-mercaptopyrimidine;pyrimidine-2-thiol;pyrimidine-2-thiol, lithium salt

Chemical Property of 2-Mercaptopyrimidine

Chemical Property:

• Vapor Pressure: 0.822mmHg at 25°C
• Boiling Point: 191.3°Cat760mmHg
• Flash Point: 69.5°C
• Density: 1.3g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.00951931
• Heavy Atom Count: 7
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: C1=CNC(=S)N=C1

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