chempirical

[(Methylsulfonyl)methyl]benzene

C8H10O2SCAS 3112-90-1170.23 g/mol

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Sulfone

Properties

Molecular formula
C8H10O2S
Molar mass
170.23 g/mol
Exact mass
170.0402 Da
Melting point
127 °C
logP
1.23Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3112-90-1
SMILES
CS(=O)(=O)Cc1ccccc1
InChIKey
BEARMXYKACECDH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

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Names and synonyms

6 names
  • Benzene, [(methylsulfonyl)methyl]-
  • Sulfone, benzyl methyl
  • Benzyl methyl sulfone
  • Methyl benzyl sulfone
  • NSC 409406
  • (Methanesulfonylmethyl)benzene

Work with [(Methylsulfonyl)methyl]benzene

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

Methyl P-tolyl sulfone3185-99-7 2-Thiophenebutanoic acid4653-11-6 Ethyl 2-thienylacetate57382-97-5 S-(2-Furanylmethyl) propanethioate59020-85-8 (Ethylsulfonyl)benzene599-70-2

Elsewhere

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