5-Bromo-2-thiophenesulfonyl chloride

C₄H₂BrClO₂S₂CAS 55854-46-1261.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂BrClO₂S₂
Molar mass: 261.53 g/mol
Exact mass: 259.8368 Da
Boiling point: 105–110 °C (at 4 Torr)
logP: 2.44Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

55854-46-1

SMILES

O=S(=O)(Cl)c1ccc(Br)s1

InChIKey

WGYBIEOLAFYDEC-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H

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Names and synonyms

1 names

2-Thiophenesulfonyl chloride, 5-bromo-

Work with 5-Bromo-2-thiophenesulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-2-thiophenesulfonyl chloride2766-74-757 % similar 5-Bromo-2-thiophenesulfonamide53595-65-655 % similar 2,5-Dibromothiophene3141-27-344 % similar 2-Thiophenesulfonyl chloride16629-19-944 % similar 4-Bromobenzenesulfonyl chloride98-58-841 % similar 2,3-Dichlorothiophene-5-sulphonyl chloride126714-85-040 % similar 2-Bromo-5-chlorothiophene2873-18-940 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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