4-bromo-2-(bromomethyl)thiophene

• ChemBase ID: 275744
• Molecular Formular: C5H4Br2S
• Molecular Mass: 255.95826
• Monoisotopic Mass: 253.84004513
• SMILES: c1c(scc1Br)CBr
• Canonical SMILES: BrCc1scc(c1)Br
• InChI: InChI=1S/C5H4Br2S/c6-2-5-1-4(7)3-8-5/h1,3H,2H2
• InChIKey: NANALAOSHGYIEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09909587
• PubChem SID: 164331654
• PubChem CID: 15386015

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.427617
• LogD (pH = 7.4): 3.427617
• Log P: 3.427617
• Molar Refractivity: 43.4211 cm^3
• Polarizability: 16.792376 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.475

Product Information

• Purity: 95%