5-bromo-2,3-dichlorothiophene

• ChemBase ID: 292461
• Molecular Formular: C4HBrCl2S
• Molecular Mass: 231.92574
• Monoisotopic Mass: 229.83593839
• SMILES: Clc1c(Cl)cc(Br)s1
• Canonical SMILES: Brc1sc(c(c1)Cl)Cl
• InChI: InChI=1S/C4HBrCl2S/c5-3-1-2(6)4(7)8-3/h1H
• InChIKey: OLGYPVCRHVQYRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,3-dichlorothiophene
• IUPAC Traditional name: 5-bromo-2,3-dichlorothiophene
• Synonyms: 5-Bromo-2,3-dichlorothiophene

Database IDs

• CAS Number: 83663-36-9
• PubChem SID: 180677992
• PubChem CID: 12792381

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0625215
• LogD (pH = 7.4): 4.0625215
• Log P: 4.0625215
• Molar Refractivity: 38.716 cm^3
• Polarizability: 16.06718 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%