ethoxy[(ethoxymethanethioyl)disulfanyl]methanethione

• ChemBase ID: 106767
• Molecular Formular: C6H10O2S4
• Molecular Mass: 242.4024
• Monoisotopic Mass: 241.95636356
• SMILES: CCOC(=S)SSC(=S)OCC
• Canonical SMILES: CCOC(=S)SSC(=S)OCC
• InChI: InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
• InChIKey: FVIGODVHAVLZOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxy[(ethoxymethanethioyl)disulfanyl]methanethione
• IUPAC Traditional name: aulin
• Synonyms: Biethylxanthogentrisulfide; bis-(Ethylxanthic)Disulfide; Diethyldithio-bis-(thionoformate)Diethyldixanthogen; Diethylxanthogenate; Diethylxanthogendisulfide; BISETHYLXANTHOGEN; Dixanthogen

Database IDs

• CAS Number: 502-55-6
• EC Number: 207-944-4
• PubChem SID: 162087228
• PubChem CID: 10404
• CHEMBL: 331743
• Chemspider ID: 9975
• KEGG ID: D07366
• Wikipedia Title: Dixanthogen

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4571123
• LogD (pH = 7.4): 4.4571123
• Log P: 4.4571123
• Molar Refractivity: 65.045 cm^3
• Polarizability: 26.312145 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201360

MP Biomedicals Rare Chemical collection