chempirical

4-Methylbenzylsulfonyl chloride

C8H9ClO2SCAS 51419-59-1204.67 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C8H9ClO2S
Molar mass
204.67 g/mol
Exact mass
204.0012 Da
logP
2.06Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
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
51419-59-1
SMILES
CC1=CC=C(C=C1)CS(=O)(=O)Cl
InChIKey
JALKUHLLMWYIAT-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO2S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3

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Names and synonyms

1 names
  • (4-Methylphenyl)methanesulfonyl chloride

Work with 4-Methylbenzylsulfonyl 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

(4-Chlorophenyl)methanesulfonyl chloride6966-45-662 % similar Benzenemethanesulfonyl chloride1939-99-761 % similar (4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-960 % similar 3,4-Dichlorophenylmethanesulfonyl chloride85952-30-352 % similar 4-Nitrobenzenemethanesulfonyl chloride4025-75-651 % similar 1,2-Bis(4-methylphenyl)ethane538-39-646 % similar 4-Toluenesulfonyl chloride98-59-945 % similar 4-Methylbenzyl chloride104-82-545 % similar

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

Same formula

4-Ethylbenzene-1-sulfonyl chloride16712-69-9 2,5-Dimethylbenzenesulfonyl chloride19040-62-1 3,5-Dimethylbenzenesulfonyl chloride2905-27-3 3,4-Dimethylbenzenesulfonyl chloride2905-30-8 P-(Methylsulfonyl)benzyl chloride40517-43-9 2,4-Dimethylbenzenesulfonyl chloride609-60-9 [(2-Chloroethyl)sulfonyl]benzene938-09-0

Elsewhere

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