5,5-Dimethyl-2-(ethylimino)-1,3-dithiolan-4-one O-((methylamino)carbonyl)oxime

Base Information

• Chemical Name: 5,5-Dimethyl-2-(ethylimino)-1,3-dithiolan-4-one O-((methylamino)carbonyl)oxime
• CAS No.: 71108-04-8
• Molecular Formula: C9H15N3O2S2
• Molecular Weight: 261.39
• DSSTox Substance ID: DTXSID001031939
• Mol file: 71108-04-8.mol

Synonyms:5,5-Dimethyl-2-(ethylimino)-1,3-dithiolan-4-one O-((methylamino)carbonyl)oxime;1,3-Dithiolan-4-one, 5,5-dimethyl-2-(ethylimino)-, O-((methylamino)carbonyl)oxime;71108-04-8;C9H15N3O2S2;DTXSID001031939;C9-H15-N3-O2-S2;LS-63319

Chemical Property of 5,5-Dimethyl-2-(ethylimino)-1,3-dithiolan-4-one O-((methylamino)carbonyl)oxime

Chemical Property:

• Density: 1.321g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 261.06056908
• Heavy Atom Count: 16
• Complexity: 340

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: CCN=C1SC(=NOC(=O)NC)C(S1)(C)C
• Isomeric SMILES: CCN=C1S/C(=N/OC(=O)NC)/C(S1)(C)C