2-bromo-5-(chloromethyl)thiophene

• ChemBase ID: 254479
• Molecular Formular: C5H4BrClS
• Molecular Mass: 211.50726
• Monoisotopic Mass: 209.89056081
• SMILES: s1c(ccc1CCl)Br
• Canonical SMILES: ClCc1ccc(s1)Br
• InChI: InChI=1S/C5H4BrClS/c6-5-2-1-4(3-7)8-5/h1-2H,3H2
• InChIKey: RGAWORKAZJRWOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(chloromethyl)thiophene
• IUPAC Traditional name: 2-bromo-5-(chloromethyl)thiophene
• Synonyms: 2-bromo-5-(chloromethyl)thiophene

Database IDs

• MDL Number: MFCD11099394
• PubChem SID: 164310389
• PubChem CID: 10198227

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4081178
• LogD (pH = 7.4): 3.4081178
• Log P: 3.4081178
• Molar Refractivity: 39.5975 cm^3
• Polarizability: 15.711457 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.255

Product Information

• Purity: 95%