1-(octadecyldisulfanyl)octadecane

• ChemBase ID: 111778
• Molecular Formular: C36H74S2
• Molecular Mass: 571.10276
• Monoisotopic Mass: 570.52319437
• SMILES: CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C36H74S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• InChIKey: MQQKTNDBASEZSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(octadecyldisulfanyl)octadecane
• IUPAC Traditional name: 1-(octadecyldisulfanyl)octadecane
• Synonyms: DISTEARYL DISULFIDE; n-Octadecyl disulfide; Di-n-octadecyl disulfide; 二(十八烷基)二硫醚

Database IDs

• CAS Number: 2500-88-1
• EC Number: 219-702-5
• MDL Number: MFCD00026687
• Beilstein Number: 1715376
• PubChem SID: 162106527
• PubChem CID: 75627

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 16.394327
• LogD (pH = 7.4): 16.394327
• Log P: 16.394327
• Molar Refractivity: 183.6668 cm^3
• Polarizability: 73.361534 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 35
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 60-64°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05220899

MP Biomedicals Rare Chemical collection