3,5-Dimethylbenzenesulfonyl chloride

C₈H₉ClO₂SCAS 2905-27-3204.67 g/mol

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Halogen Sulfone

Properties

Molecular formula: C₈H₉ClO₂S
Molar mass: 204.67 g/mol
Exact mass: 204.0012 Da
Melting point: 128–130 °C
Boiling point: 89–90 °C (at 0.2 Torr)
logP: 2.23Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

2905-27-3

SMILES

Cc1cc(C)cc(S(=O)(=O)Cl)c1

InChIKey

LSAGRAXLOLZVKO-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3

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Names and synonyms

3 names

Benzenesulfonyl chloride, 3,5-dimethyl-
3,5-Xylenesulfonyl chloride
3,5-Dimethylbenzene-1-sulfonyl chloride

Work with 3,5-Dimethylbenzenesulfonyl 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

Same formula

2,5-Dimethylbenzenesulfonyl chloride19040-62-1 3,4-Dimethylbenzenesulfonyl chloride2905-30-8 2,4-Dimethylbenzenesulfonyl chloride609-60-9 [(2-Chloroethyl)sulfonyl]benzene938-09-0

Elsewhere

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