3,4-dibromothiophene-2-sulfonyl chloride

• ChemBase ID: 235684
• Molecular Formular: C4HBr2ClO2S2
• Molecular Mass: 340.44054
• Monoisotopic Mass: 337.74732295
• SMILES: c1(S(=O)(=O)Cl)c(c(cs1)Br)Br
• Canonical SMILES: Brc1csc(c1Br)S(=O)(=O)Cl
• InChI: InChI=1S/C4HBr2ClO2S2/c5-2-1-10-4(3(2)6)11(7,8)9/h1H
• InChIKey: OLSYJMFARDELRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromothiophene-2-sulfonyl chloride
• IUPAC Traditional name: 3,4-dibromothiophene-2-sulfonyl chloride
• Synonyms: 3,4-dibromothiophene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD21960457
• PubChem SID: 164291594
• PubChem CID: 11638680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.403492
• LogD (pH = 7.4): 3.403492
• Log P: 3.403492
• Molar Refractivity: 51.7635 cm^3
• Polarizability: 21.561287 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): 1.399

Product Information

• Purity: 95%