1-(methylsulfanyl)decane

• ChemBase ID: 109471
• Molecular Formular: C11H24S
• Molecular Mass: 188.37326
• Monoisotopic Mass: 188.15987177
• SMILES: CCCCCCCCCCSC
• Canonical SMILES: CCCCCCCCCCSC
• InChI: InChI=1S/C11H24S/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3
• InChIKey: HKGUUZAACYBIID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methylsulfanyl)decane
• IUPAC Traditional name: 1-(methylsulfanyl)decane
• Synonyms: DECYL METHYL SULFIDE; n-Decyl methyl sulfide; 正癸基甲基硫醚

Database IDs

• CAS Number: 22438-39-7
• EC Number: 244-997-2
• MDL Number: MFCD00026541
• Beilstein Number: 1736530
• PubChem SID: 162095323
• PubChem CID: 89712

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1111126
• LogD (pH = 7.4): 5.1111126
• Log P: 5.1111126
• Molar Refractivity: 60.4205 cm^3
• Polarizability: 24.099966 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 126-127°C/14mm
• Flash Point: 101°C(214°F)
• Density: 0.845
• Refractive Index: 1.4605

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05211176

MP Biomedicals Rare Chemical collection