5-Chloro-4-nitrothiophene-2-sulfonyl chloride

C₄HCl₂NO₄S₂CAS 58457-24-2262.07 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₄HCl₂NO₄S₂
Molar mass: 262.07 g/mol
Exact mass: 260.8724 Da
logP: 2.24Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

58457-24-2

SMILES

C1=C(SC(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl

InChIKey

SGHAHFHTASPNKN-UHFFFAOYSA-N

InChI

InChI=1S/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H

Weigh it out

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

Work with 5-Chloro-4-nitrothiophene-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

2,3-Dichlorothiophene-5-sulphonyl chloride126714-85-054 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-549 % similar 2,4-Dinitrobenzenesulfonyl chloride1656-44-647 % similar 2-Nitrobenzenesulfonyl chloride1694-92-446 % similar 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-144 % similar 3-Fluoro-4-nitrobenzenesulfonyl chloride86156-93-644 % similar 3-Nitrobenzenesulfonyl chloride121-51-744 % similar 2-Chloro-3-nitrothiophene5330-98-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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