butoxy[(butoxymethanethioyl)disulfanyl]methanethione

• ChemBase ID: 111750
• Molecular Formular: C10H18O2S4
• Molecular Mass: 298.50872
• Monoisotopic Mass: 298.01896382
• SMILES: CCCCOC(=S)SSC(=S)OCCCC
• Canonical SMILES: CCCCOC(=S)SSC(=S)OCCCC
• InChI: InChI=1S/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3
• InChIKey: QCAZHHXMIVSLMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butoxy[(butoxymethanethioyl)disulfanyl]methanethione
• IUPAC Traditional name: butoxy[(butoxymethanethioyl)disulfanyl]methanethione
• Synonyms: DI BUTYL XANTHOGEN DISULFIDE

Database IDs

• PubChem SID: 162106526
• PubChem CID: 66926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.391294
• LogD (pH = 7.4): 6.391294
• Log P: 6.391294
• Molar Refractivity: 83.295 cm^3
• Polarizability: 33.686214 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05220754

MP Biomedicals Rare Chemical collection