Bis(phenylsulfonyl)methane

C13H12O4S2CAS 3406-02-8296.36 g/mol

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Sulfone

Properties

Molecular formula
C13H12O4S2
Molar mass
296.36 g/mol
Exact mass
296.0177 Da
Melting point
118–119 °C
logP
1.89Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
3406-02-8
SMILES
O=S(=O)(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIKey
QCHNSJNRFSOCLJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,1′-[methylenebis(sulfonyl)]bis-
  • Methane, bis(phenylsulfonyl)-
  • 1,1′-[Methylenebis(sulfonyl)]bis[benzene]
  • Bis(benzenesulfonyl)methane
  • NSC 47076
  • (Benzenesulfonyl)methanesulfonylbenzene

Work with Bis(phenylsulfonyl)methane

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

Fluoromethyl phenyl sulfone20808-12-263 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-763 % similar (Ethylsulphonyl)benzene599-70-263 % similar ((Chloromethyl)sulphonyl)benzene7205-98-363 % similar (Phenylsulfonyl)acetonitrile7605-28-958 % similar ((2-Chloroethyl)sulphonyl)benzene938-09-058 % similar (2-Propen-1-ylsulfonyl)benzene16212-05-856 % similar 2-(Benzenesulfonyl)acetamide35008-50-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook