Sulfocarbathione

Base Information

• Chemical Name: Sulfocarbathione
• CAS No.: 114654-31-8
• Molecular Formula: C5H9 N O2 S3
• Molecular Weight: 211.33
• UNII: Q3NBZ692DK
• DSSTox Substance ID: DTXSID20921445
• Nikkaji Number: J1.137.105A
• Mol file: 114654-31-8.mol

Synonyms:N-1,2-dioxothiolan-3-yl-dithiocarbamate, potassium salt;sulfocarbathion K;sulfocarbathione

Chemical Property of Sulfocarbathione

Chemical Property:

• Vapor Pressure: 6.23E-07mmHg at 25°C
• Boiling Point: 410°Cat760mmHg
• Flash Point: 201.8°C
• PSA: 132.48000
• Density: 1.49g/cm³
• LogP: 1.46990
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 210.97954205
• Heavy Atom Count: 11
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and inhalation.
• Hazard Codes: Moderately toxic by ingestion and inhalation.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1NC(=S)S