[(Phenylmethyl)sulfonyl]benzene

C₁₃H₁₂O₂SCAS 3112-88-7232.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₂O₂S
Molar mass: 232.30 g/mol
Exact mass: 232.0558 Da
Melting point: 146 °C
logP: 2.66Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

3112-88-7

SMILES

O=S(=O)(Cc1ccccc1)c1ccccc1

InChIKey

FABCMLOTUSCWOR-UHFFFAOYSA-N

InChI

InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

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Names and synonyms

5 names

Benzene, [(phenylmethyl)sulfonyl]-
Sulfone, benzyl phenyl
Benzyl phenyl sulfone
Phenyl benzyl sulfone
NSC 15407

Work with [(Phenylmethyl)sulfonyl]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

Elsewhere

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