3,4-dibromo-2,5-dichlorothiophene

• ChemBase ID: 288917
• Molecular Formular: C4Br2Cl2S
• Molecular Mass: 310.8218
• Monoisotopic Mass: 307.74645036
• SMILES: Clc1c(Br)c(Br)c(Cl)s1
• Canonical SMILES: Clc1sc(c(c1Br)Br)Cl
• InChI: InChI=1S/C4Br2Cl2S/c5-1-2(6)4(8)9-3(1)7
• InChIKey: CQDQDBHWDGWKHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromo-2,5-dichlorothiophene
• IUPAC Traditional name: 3,4-dibromo-2,5-dichlorothiophene
• Synonyms: 3,4-Dibromo-2,5-dichlorothiophene

Database IDs

• CAS Number: 40477-45-0
• PubChem SID: 180674448
• PubChem CID: 7015318

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8312745
• LogD (pH = 7.4): 4.8312745
• Log P: 4.8312745
• Molar Refractivity: 46.3388 cm^3
• Polarizability: 19.291862 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%