5-Bromothiophene-2-sulfonyl chloride

C₄H₂BrClO₂S₂CAS 55854-46-1261.53 g/mol

Open in Covalent MOL file

Aryl halide

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

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

5-Bromo-2-thiophenesulfonyl chloride
2-Thiophenesulfonyl chloride, 5-bromo-

Work with 5-Bromothiophene-2-sulfonyl 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 4,5-Dibromothiophene-2-sulfonyl chloride81606-31-747 % similar 5-Bromo-N-tert-butyl-2-thiophenesulfonamide286932-39-646 % similar 2,5-Dibromothiophene3141-27-344 % similar 2-Thiophenesulfonyl chloride16629-19-944 % similar 5-(2-Pyridyl)thiophene-2-sulfonyl chloride151858-64-944 % similar 1-Benzothiophene-2-sulfonyl chloride90001-64-242 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook