[(Phenylmethyl)sulfonyl]benzene

C13H12O2SCAS 3112-88-7232.30 g/mol

Open in Covalent MOL file
OSO
Sulfone

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

6 names
  • Benzene, ((phenylmethyl)sulfonyl)-,
  • 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

Similar compounds

Bis(phenylsulfonyl)methane3406-02-863 % similar Benzenemethanesulfonyl chloride1939-99-756 % similar Fluoromethyl phenyl sulfone20808-12-256 % similar (Ethylsulphonyl)benzene599-70-256 % similar ((Chloromethyl)sulphonyl)benzene7205-98-356 % similar (Phenylsulfonyl)acetonitrile7605-28-952 % similar ((2-Chloroethyl)sulphonyl)benzene938-09-052 % similar (2-Propen-1-ylsulfonyl)benzene16212-05-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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