2-{[2-(tert-butylsulfanyl)ethyl]sulfanyl}-2-methylpropane

• ChemBase ID: 108369
• Molecular Formular: C10H22S2
• Molecular Mass: 206.41168
• Monoisotopic Mass: 206.1162927
• SMILES: CC(C)(C)SCCSC(C)(C)C
• Canonical SMILES: CC(SCCSC(C)(C)C)(C)C
• InChI: InChI=1S/C10H22S2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H2,1-6H3
• InChIKey: HPSWXOHTKYJSJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(tert-butylsulfanyl)ethyl]sulfanyl}-2-methylpropane
• IUPAC Traditional name: 2-{[2-(tert-butylsulfanyl)ethyl]sulfanyl}-2-methylpropane
• Synonyms: 1,2-DI-tert-BUTYLMERCAPTOETHANE

Database IDs

• PubChem SID: 162106150
• PubChem CID: 545381

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2415147
• LogD (pH = 7.4): 3.2415147
• Log P: 3.2415147
• Molar Refractivity: 64.1272 cm^3
• Polarizability: 25.304186 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207121

MP Biomedicals Rare Chemical collection