1-(hexyldisulfanyl)hexane

• ChemBase ID: 111759
• Molecular Formular: C12H26S2
• Molecular Mass: 234.46484
• Monoisotopic Mass: 234.14759283
• SMILES: CCCCCCSSCCCCCC
• Canonical SMILES: CCCCCCSSCCCCCC
• InChI: InChI=1S/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
• InChIKey: GJPDBURPGLWRPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hexyldisulfanyl)hexane
• IUPAC Traditional name: 1-(hexyldisulfanyl)hexane
• Synonyms: DI-n-HEXYL DISULFIDE; n-Hexyl disulfide; Di-n-hexyl disulfide; 二己二硫化物

Database IDs

• CAS Number: 10469-15-8; 10496-15-8
• EC Number: 234-022-9
• MDL Number: MFCD00027300
• PubChem SID: 162097313
• PubChem CID: 82675

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.72468
• LogD (pH = 7.4): 5.72468
• Log P: 5.72468
• Molar Refractivity: 73.2428 cm^3
• Polarizability: 29.037344 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110°C(230°F)
• Density: 0.919

Safety Information

• TSCA Listed: 是

Product Information

• Purity: tech. 85%

DETAILS

MP Biomedicals - 05220816

MP Biomedicals Rare Chemical collection