1-(decylsulfanyl)decane

• ChemBase ID: 295832
• Molecular Formular: C20H42S
• Molecular Mass: 314.61248
• Monoisotopic Mass: 314.30072234
• SMILES: CCCCCCCCCCSCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCSCCCCCCCCCC
• InChI: InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
• InChIKey: RKYMVQJWYYOIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(decylsulfanyl)decane
• IUPAC Traditional name: 1-(decylsulfanyl)decane
• Synonyms: Di-n-decyl sulfide; n-Decyl sulfide; 二癸基硫醚

Database IDs

• CAS Number: 693-83-4
• EC Number: 211-761-5
• MDL Number: MFCD00026542
• Beilstein Number: 1763427
• PubChem SID: 180681363
• PubChem CID: 69662

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.998646
• LogD (pH = 7.4): 8.998646
• Log P: 8.998646
• Molar Refractivity: 101.9493 cm^3
• Polarizability: 40.723907 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 25-28°C
• Boiling Point: 217-218°C/8mm

Safety Information

• Safety Statements: 24/25
• TSCA Listed: 是

Product Information

• Purity: 97%