1-(pentane-1-sulfonyl)pentane

• ChemBase ID: 107497
• Molecular Formular: C10H22O2S
• Molecular Mass: 206.34548
• Monoisotopic Mass: 206.13405094
• SMILES: CCCCCS(=O)(=O)CCCCC
• Canonical SMILES: CCCCCS(=O)(=O)CCCCC
• InChI: InChI=1S/C10H22O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3
• InChIKey: NLUGCAKOZAODBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pentane-1-sulfonyl)pentane
• IUPAC Traditional name: 1-(pentane-1-sulfonyl)pentane
• Synonyms: DI-n-AMYL SULFOXIDE

Database IDs

• PubChem SID: 162106039
• PubChem CID: 77934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.540342
• LogD (pH = 7.4): 2.540342
• Log P: 2.540342
• Molar Refractivity: 57.3162 cm^3
• Polarizability: 23.319593 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203982

MP Biomedicals Rare Chemical collection