2,4-Diamino-6-mercaptopyrimidine

Base Information

• Chemical Name: 2,4-Diamino-6-mercaptopyrimidine
• CAS No.: 81012-96-6
• Molecular Formula: C4H5N4S-
• Molecular Weight: 382.44
• European Community (EC) Number: 279-657-2,622-549-0
• NSC Number: 12888
• DSSTox Substance ID: DTXSID10230851
• Nikkaji Number: J291.253H
• ChEMBL ID: CHEMBL1688954
• Mol file: 81012-96-6.mol

Synonyms:2,4-Diamino-6-mercaptopyrimidine;56-08-6;2,6-Diaminopyrimidine-4(1H)-thione;2,6-diamino-1H-pyrimidine-4-thione;2,6-diaminopyrimidine-4-thiol;4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate;NSC12888;SCHEMBL654697;CHEMBL1688954;DTXSID10230851;SOUUDGAWOJKDRN-UHFFFAOYSA-N;2,4-diamino-6-mercapto pyrimidine;NSC-12888;2,6-diaminopyrimidine-4(3H)-thione;AKOS006222329;AKOS016003859;SB55670;AC-11784;2,6-diamino-1,4-dihydropyrimidine-4-thione;2,6-diamino-3,4-dihydropyrimidine-4-thione;FT-0631245;FT-0641799;A830911;J-507396

Chemical Property of 2,4-Diamino-6-mercaptopyrimidine

Chemical Property:

• Vapor Pressure: 2.26E-09mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 479.9ºC at 760 mmHg
• Flash Point: 244.1ºC
• PSA: 316.22000
• LogP: 2.61220
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.03131738
• Heavy Atom Count: 9
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

2,4-DIAMINO-6-MERCAPTOPYRIMIDINE HEMISULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=NC1=S)N)N