2,5-dibromothiophene-3-sulfonyl chloride

• ChemBase ID: 245787
• Molecular Formular: C4HBr2ClO2S2
• Molecular Mass: 340.44054
• Monoisotopic Mass: 337.74732295
• SMILES: c1(S(=O)(=O)Cl)c(sc(c1)Br)Br
• Canonical SMILES: Brc1sc(c(c1)S(=O)(=O)Cl)Br
• InChI: InChI=1S/C4HBr2ClO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
• InChIKey: NXEZMVJAZXKXHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromothiophene-3-sulfonyl chloride
• IUPAC Traditional name: 2,5-dibromothiophene-3-sulfonyl chloride
• Synonyms: 2,5-dibromothiophene-3-sulfonyl chloride

Database IDs

• CAS Number: 70374-40-2
• MDL Number: MFCD06660757
• PubChem SID: 164301697
• PubChem CID: 4961868

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.569488
• LogD (pH = 7.4): 3.569488
• Log P: 3.569488
• Molar Refractivity: 50.9234 cm^3
• Polarizability: 21.606548 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.599

Product Information

• Purity: 95%