Propanedinitrile, (4,4-dimethyl-5-((((methyl((trichloromethyl)thio)amino)carbonyl)oxy)imino)-1,3-dithiolan-2-ylidene)-

Base Information

• Chemical Name: Propanedinitrile, (4,4-dimethyl-5-((((methyl((trichloromethyl)thio)amino)carbonyl)oxy)imino)-1,3-dithiolan-2-ylidene)-
• CAS No.: 71108-21-9
• Molecular Formula: C11H9Cl3N4O2S3
• Molecular Weight: 431.77
• DSSTox Substance ID: DTXSID701031966
• Mol file: 71108-21-9.mol

Synonyms:71108-21-9;Propanedinitrile, (4,4-dimethyl-5-((((methyl((trichloromethyl)thio)amino)carbonyl)oxy)imino)-1,3-dithiolan-2-ylidene)-;C11H9Cl3N4O2S3;DTXSID701031966;C11-H9-Cl3-N4-O2-S3;LS-119985;(4,4-Dimethyl-5-((((methyl((trichloromethyl)thio)amino)carbonyl)oxy)imino)-1,3-dithiolan-2-ylidene)propanedinitrile

Chemical Property of Propanedinitrile, (4,4-dimethyl-5-((((methyl((trichloromethyl)thio)amino)carbonyl)oxy)imino)-1,3-dithiolan-2-ylidene)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 422.343°C at 760 mmHg
• Flash Point: 209.226°C
• Density: 1.578g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 429.895322
• Heavy Atom Count: 23
• Complexity: 651

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=NOC(=O)N(C)SC(Cl)(Cl)Cl)SC(=C(C#N)C#N)S1)C
• Isomeric SMILES: CC1(/C(=N\OC(=O)N(C)SC(Cl)(Cl)Cl)/SC(=C(C#N)C#N)S1)C