(nonylsulfanyl)benzene

• ChemBase ID: 798269
• Molecular Formular: C15H24S
• Molecular Mass: 236.41606
• Monoisotopic Mass: 236.15987177
• SMILES: S(c1ccccc1)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCSc1ccccc1
• InChI: InChI=1S/C15H24S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
• InChIKey: JXASPOITXHFJLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (nonylsulfanyl)benzene
• IUPAC Traditional name: (nonylsulfanyl)benzene
• Synonyms: nonyl(phenyl)sulfane

Database IDs

• CAS Number: 56358-04-4

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0444274
• LogD (pH = 7.4): 6.0444274
• Log P: 6.0444274
• Molar Refractivity: 75.7447 cm^3
• Polarizability: 30.031475 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%