1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene

C₉H₁₁ClO₂SCAS 22381-53-9218.69 g/mol

Open in Covalent MOL file

Halogen Sulfone

Properties

Molecular formula: C₉H₁₁ClO₂S
Molar mass: 218.69 g/mol
Exact mass: 218.0168 Da
Melting point: 22.5 °C
Boiling point: 140 °C (at 1.5 Torr)
logP: 2.01Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

22381-53-9

SMILES

Cc1ccc(S(=O)(=O)CCCl)cc1

InChIKey

KUAGAJLNIOIGRN-UHFFFAOYSA-N

InChI

InChI=1S/C9H11ClO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,6-7H2,1H3

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Names and synonyms

6 names

Benzene, 1-[(2-chloroethyl)sulfonyl]-4-methyl-
Sulfone, 2-chloroethyl p-tolyl
p-Toluene 2-chloroethyl sulphone
1-Tosyl-2-chloroethane
NSC 9012
1-(2-Chloroethanesulfonyl)-4-methylbenzene

Work with 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene

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

Mesitylenesulfonyl chloride773-64-8

Elsewhere

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