1-bromo-2-(ethylsulfanyl)ethane

• ChemBase ID: 247062
• Molecular Formular: C4H9BrS
• Molecular Mass: 169.08326
• Monoisotopic Mass: 167.96083329
• SMILES: S(CCBr)CC
• Canonical SMILES: BrCCSCC
• InChI: InChI=1S/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3
• InChIKey: WNKBNVXUYLXITH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(ethylsulfanyl)ethane
• IUPAC Traditional name: 1-bromo-2-(ethylsulfanyl)ethane
• Synonyms: 1-bromo-2-(ethylsulfanyl)ethane

Database IDs

• MDL Number: MFCD00236595
• PubChem SID: 164302972
• PubChem CID: 245296

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.066909
• LogD (pH = 7.4): 2.066909
• Log P: 2.066909
• Molar Refractivity: 36.2195 cm^3
• Polarizability: 13.8957815 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.103

Product Information

• Purity: 95%