2-(tert-butylsulfanyl)-2-methylpropane

• ChemBase ID: 108036
• Molecular Formular: C8H18S
• Molecular Mass: 146.29352
• Monoisotopic Mass: 146.11292158
• SMILES: CC(C)(C)SC(C)(C)C
• Canonical SMILES: CC(SC(C)(C)C)(C)C
• InChI: InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
• InChIKey: LNMBCRKRCIMQLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butylsulfanyl)-2-methylpropane
• IUPAC Traditional name: 2-(tert-butylsulfanyl)-2-methylpropane
• Synonyms: tert-BUTYL SULFIDE; DI-tert-BUTYL POLYSULFIDE

Database IDs

• CAS Number: 107-47-1; 68937-96-2
• EC Number: 203-493-2
• PubChem SID: 162094136
• PubChem CID: 7872

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.708831
• LogD (pH = 7.4): 2.708831
• Log P: 2.708831
• Molar Refractivity: 46.7981 cm^3
• Polarizability: 18.564365 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.815 g/ml

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:10
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05205833

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05207161

MP Biomedicals Rare Chemical collection