2-methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane

• ChemBase ID: 112503
• Molecular Formular: C24H50S2
• Molecular Mass: 402.7838
• Monoisotopic Mass: 402.3353936
• SMILES: CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCC(SSC(CCCCCCCCC)(C)C)(C)C
• InChI: InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3
• InChIKey: LEDIWWJKWAMGLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane
• IUPAC Traditional name: 2-methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane
• Synonyms: DI-tert-DODECYL DISULFIDE

Database IDs

• CAS Number: 27458-90-8
• PubChem SID: 162098233
• PubChem CID: 117981

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.572236
• LogD (pH = 7.4): 10.572236
• Log P: 10.572236
• Molar Refractivity: 128.0536 cm^3
• Polarizability: 51.202953 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05224447

MP Biomedicals Rare Chemical collection