Diisothiocyanatomethane

Base Information

• Chemical Name: Diisothiocyanatomethane
• CAS No.: 13061-19-3
• Molecular Formula: C3H2 N2 S2
• Molecular Weight: 130.1914
• NSC Number: 43898
• DSSTox Substance ID: DTXSID00926832
• Nikkaji Number: J246.576K
• Mol file: 13061-19-3.mol

Synonyms:13061-19-3;diisothiocyanatomethane;NSC43898;SCHEMBL671212;DTXSID00926832;NSC-43898

Chemical Property of Diisothiocyanatomethane

Chemical Property:

• Vapor Pressure: 0.0661mmHg at 25°C
• Boiling Point: 238.2°Cat760mmHg
• Flash Point: 96.5°C
• Density: 1.21g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 129.96594042
• Heavy Atom Count: 7
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(N=C=S)N=C=S