4-{[2,5-Bis(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile

Base Information

• Chemical Name: 4-{[2,5-Bis(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile
• CAS No.: 7402-64-4
• Molecular Formula: C13H12 N4 S2
• Molecular Weight: 288.39
• NSC Number: 54665
• DSSTox Substance ID: DTXSID50288194
• Wikidata: Q82024505
• Mol file: 7402-64-4.mol

Synonyms:7402-64-4;NSC54665;4-{[2,5-bis(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile;NCIOpen2_002088;DTXSID50288194;NSC-54665

Chemical Property of 4-{[2,5-Bis(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile

Chemical Property:

• Vapor Pressure: 1.13E-09mmHg at 25°C
• Boiling Point: 488°C at 760 mmHg
• Flash Point: 249°C
• PSA: 112.20000
• Density: 1.35g/cm³
• LogP: 3.60868
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 288.05033875
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC