2H-Imidazole-2-thione

Base Information

• Chemical Name: 2H-Imidazole-2-thione
• CAS No.: 24684-03-5
• Molecular Formula: C3H2N2S
• Molecular Weight: 98.12638
• European Community (EC) Number: 246-405-8
• UNII: 69JT7M2HRU
• DSSTox Substance ID: DTXSID90179416
• Nikkaji Number: J286.372C
• Wikidata: Q83049950
• Mol file: 24684-03-5.mol

Synonyms:2-mercaptoimidazole;2H-imidazole-2-thione;4-imidazoline-2-thione;imidazole-2-thiol

Chemical Property of 2H-Imidazole-2-thione

Chemical Property:

• Vapor Pressure: 5.95mmHg at 25°C
• Refractive Index: 1.709
• Boiling Point: 146.1 °C at 760 mmHg
• PKA: -2.76±0.20(Predicted)
• Flash Point: 32.2 °C
• PSA: 56.81000
• Density: 1.4 g/cm³
• LogP: -0.70230
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 97.99386925
• Heavy Atom Count: 6
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=S)N=C1