1-bromo-2-(methylsulfanyl)ethane

• ChemBase ID: 269581
• Molecular Formular: C3H7BrS
• Molecular Mass: 155.05668
• Monoisotopic Mass: 153.94518322
• SMILES: S(CCBr)C
• Canonical SMILES: CSCCBr
• InChI: InChI=1S/C3H7BrS/c1-5-3-2-4/h2-3H2,1H3
• InChIKey: HPEUGDZNJLIBFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12823571
• PubChem SID: 164325491
• PubChem CID: 554365

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8138791
• LogD (pH = 7.4): 1.8138791
• Log P: 1.8138791
• Molar Refractivity: 31.4217 cm^3
• Polarizability: 12.095989 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.574

Product Information

• Purity: 95%