3-bromo-2-(chloromethyl)thiophene

• ChemBase ID: 264004
• Molecular Formular: C5H4BrClS
• Molecular Mass: 211.50726
• Monoisotopic Mass: 209.89056081
• SMILES: c1(c(ccs1)Br)CCl
• Canonical SMILES: ClCc1sccc1Br
• InChI: InChI=1S/C5H4BrClS/c6-4-1-2-8-5(4)3-7/h1-2H,3H2
• InChIKey: KYAGPKKOVYJXIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-(chloromethyl)thiophene
• IUPAC Traditional name: 3-bromo-2-(chloromethyl)thiophene
• Synonyms: 3-bromo-2-(chloromethyl)thiophene

Database IDs

• MDL Number: MFCD13196227
• PubChem SID: 164319914
• PubChem CID: 12479014

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.242122
• LogD (pH = 7.4): 3.242122
• Log P: 3.242122
• Molar Refractivity: 40.4376 cm^3
• Polarizability: 15.681704 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%