chempirical

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

C4HCl2NO4S2CAS 58457-24-2262.07 g/mol

Open in Covalent MOL file
SN+OO−ClSOOCl
Aryl halideNitro

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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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