2,3,5,6-Tetramethylbenzenesulfonyl chloride

C₁₀H₁₃ClO₂SCAS 60706-63-0232.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃ClO₂S
Molar mass: 232.72 g/mol
Exact mass: 232.0325 Da
Melting point: 98–99 °C
logP: 2.85Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

60706-63-0

SMILES

Cc1cc(C)c(C)c(S(=O)(=O)Cl)c1C

InChIKey

ZCXRROBIIMQMHR-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3

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

Names and synonyms

2 names

Benzenesulfonyl chloride, 2,3,5,6-tetramethyl-
2,3,5,6-Tetramethylbenzene-1-sulfonyl chloride

Work with 2,3,5,6-Tetramethylbenzenesulfonyl 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

Pentamethylbenzenesulfonyl chloride52499-94-264 % similar Mesitylenesulfonyl chloride773-64-859 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-847 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-445 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-144 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-944 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-644 % similar 4-Chloro-2,5-dimethylbenzenesulfonyl chloride88-49-344 % similar

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

Same formula

4-tert-Butylbenzenesulfonyl chloride15084-51-2

Elsewhere

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