2-bromo-4-(chloromethyl)thiophene

• ChemBase ID: 260329
• Molecular Formular: C5H4BrClS
• Molecular Mass: 211.50726
• Monoisotopic Mass: 209.89056081
• SMILES: c1(scc(c1)CCl)Br
• Canonical SMILES: ClCc1csc(c1)Br
• InChI: InChI=1S/C5H4BrClS/c6-5-1-4(2-7)3-8-5/h1,3H,2H2
• InChIKey: CDFSPUOWARZVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(chloromethyl)thiophene
• IUPAC Traditional name: 2-bromo-4-(chloromethyl)thiophene
• Synonyms: 2-bromo-4-(chloromethyl)thiophene

Database IDs

• MDL Number: MFCD12197174
• PubChem SID: 164316239
• PubChem CID: 12874109

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2756784
• LogD (pH = 7.4): 3.2756784
• Log P: 3.2756784
• Molar Refractivity: 39.8134 cm^3
• Polarizability: 15.708927 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%