1-(ethylsulfanyl)decane

• ChemBase ID: 110142
• Molecular Formular: C12H26S
• Molecular Mass: 202.39984
• Monoisotopic Mass: 202.17552183
• SMILES: CCCCCCCCCCSCC
• Canonical SMILES: CCCCCCCCCCSCC
• InChI: InChI=1S/C12H26S/c1-3-5-6-7-8-9-10-11-12-13-4-2/h3-12H2,1-2H3
• InChIKey: VSSRSPLEFYQIEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethylsulfanyl)decane
• IUPAC Traditional name: 1-(ethylsulfanyl)decane
• Synonyms: n-DECYL ETHYL SULFIDE

Database IDs

• CAS Number: 19313-61-2
• PubChem SID: 162095440
• PubChem CID: 292593

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3641424
• LogD (pH = 7.4): 5.3641424
• Log P: 5.3641424
• Molar Refractivity: 65.2183 cm^3
• Polarizability: 25.947954 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05213897

MP Biomedicals Rare Chemical collection