2-methyl-2-(propylsulfanyl)propane

• ChemBase ID: 112847
• Molecular Formular: C7H16S
• Molecular Mass: 132.26694
• Monoisotopic Mass: 132.09727151
• SMILES: CCCSC(C)(C)C
• Canonical SMILES: CCCSC(C)(C)C
• InChI: InChI=1S/C7H16S/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3
• InChIKey: MTVMGLPBDYLGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(propylsulfanyl)propane
• IUPAC Traditional name: 2-methyl-2-(propylsulfanyl)propane
• Synonyms: t-BUTYL PROPYL SULFIDE

Database IDs

• CAS Number: 926-40-9
• PubChem SID: 162097570
• PubChem CID: 264183

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7417576
• LogD (pH = 7.4): 2.7417576
• Log P: 2.7417576
• Molar Refractivity: 42.1667 cm^3
• Polarizability: 16.715534 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05226152

MP Biomedicals Rare Chemical collection