Bis(2-cyanoethyl) N,N'-(dithiobis((methylimino)carbonyloxy))diethanimidothioate

Base Information

• Chemical Name: Bis(2-cyanoethyl) N,N'-(dithiobis((methylimino)carbonyloxy))diethanimidothioate
• CAS No.: 68789-93-5
• Molecular Formula: C14H20 N6 O4 S4
• Molecular Weight: 464.64
• DSSTox Substance ID: DTXSID101031851
• Mol file: 68789-93-5.mol

Synonyms:Bis(2-cyanoethyl) N,N'-(dithiobis((methylimino)carbonyloxy))diethanimidothioate;Ethanimidothioic acid, N,N'-(dithiobis((methylimino)carbonyloxy))bis-, bis(2-cyanoethyl) ester;68789-93-5;C14H20N6O4S4;DTXSID101031851;C14-H20-N6-O4-S4;LS-66239

Chemical Property of Bis(2-cyanoethyl) N,N'-(dithiobis((methylimino)carbonyloxy))diethanimidothioate

Chemical Property:

• Boiling Point: 623°Cat760mmHg
• Flash Point: 330.6°C
• Density: 1.34g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 464.04288783
• Heavy Atom Count: 28
• Complexity: 626

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOC(=O)N(C)SSN(C)C(=O)ON=C(C)SCCC#N)SCCC#N
• Isomeric SMILES: C/C(=N/OC(=O)N(SSN(C(=O)O/N=C(\SCCC#N)/C)C)C)/SCCC#N