Hercules-13462

Base Information

• Chemical Name: Hercules-13462
• CAS No.: 67329-03-7
• Molecular Formula: C8H14NO4PS2
• Molecular Weight: 283.3
• DSSTox Substance ID: DTXSID10986588
• Nikkaji Number: J96.881A
• Mol file: 67329-03-7.mol

Synonyms:Hercules-13462;67329-03-7;Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-((1-mercapto)-1-ethyl)pyrrolidine-3,4-dione;DTXSID10986588;LS-108228;S-[1-(3,4-Dioxopyrrolidin-1-yl)ethyl] O,O-dimethyl phosphorodithioate;Dithiophosphoric acid O,O-dimethyl S-[1-(3,4-dioxo-1-pyrrolidinyl)ethyl] ester;Phosphorodithioic acid, S-[1-(3,4-dioxo-1-pyrrolidinyl)ethyl] O,O-dimethyl ester

Chemical Property of Hercules-13462

Chemical Property:

• Vapor Pressure: 2.42E-05mmHg at 25°C
• Boiling Point: 359.2°C at 760 mmHg
• PKA: -0.78±0.20(Predicted)
• Flash Point: 171°C
• PSA: 123.04000
• Density: 1.415g/cm³
• LogP: 1.62520
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 283.01018727
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(N1CC(=O)C(=O)C1)SP(=S)(OC)OC

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