1-(methylsulfanyl)nonane

• ChemBase ID: 110728
• Molecular Formular: C10H22S
• Molecular Mass: 174.34668
• Monoisotopic Mass: 174.1442217
• SMILES: CCCCCCCCCSC
• Canonical SMILES: CCCCCCCCCSC
• InChI: InChI=1S/C10H22S/c1-3-4-5-6-7-8-9-10-11-2/h3-10H2,1-2H3
• InChIKey: FCRSULZJMFDBIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methylsulfanyl)nonane
• IUPAC Traditional name: 1-(methylsulfanyl)nonane
• Synonyms: METHYL n-NONYL SULFIDE

Database IDs

• CAS Number: 59973-07-8
• PubChem SID: 162096049
• PubChem CID: 524804

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.666544
• LogD (pH = 7.4): 4.666544
• Log P: 4.666544
• Molar Refractivity: 55.8195 cm^3
• Polarizability: 22.253042 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216108

MP Biomedicals Rare Chemical collection