1-(nonylsulfanyl)nonane

• ChemBase ID: 109352
• Molecular Formular: C18H38S
• Molecular Mass: 286.55932
• Monoisotopic Mass: 286.26942222
• SMILES: CCCCCCCCCSCCCCCCCCC
• Canonical SMILES: CCCCCCCCCSCCCCCCCCC
• InChI: InChI=1S/C18H38S/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
• InChIKey: KMKSVAGOBVUFRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(nonylsulfanyl)nonane
• IUPAC Traditional name: 1-(nonylsulfanyl)nonane
• Synonyms: DI-n-NONYL SULFIDE; n-Nonyl sulfide; Di-n-nonyl sulfide; 二正壬基硫醚

Database IDs

• CAS Number: 929-98-6
• MDL Number: MFCD00027342
• Beilstein Number: 1755874
• PubChem SID: 162096145
• PubChem CID: 525006

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.1095085
• LogD (pH = 7.4): 8.1095085
• Log P: 8.1095085
• Molar Refractivity: 92.7473 cm^3
• Polarizability: 37.029907 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 15°C
• Boiling Point: 165-167°C/3mm
• Flash Point: >110°C(230°F)
• Density: 0.855
• Refractive Index: 1.4640

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05210734

MP Biomedicals Rare Chemical collection