chempirical

Diphenyl sulfoxide

C12H10OSCAS 945-51-7202.27 g/mol

Open in Covalent MOL file
OS
Sulfoxide

Properties

Molecular formula
C12H10OS
Molar mass
202.27 g/mol
Exact mass
202.0452 Da
Melting point
71.2 °C
Boiling point
340 °C
logP
2.85Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
945-51-7
SMILES
O=S(c1ccccc1)c1ccccc1
InChIKey
JJHHIJFTHRNPIK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Weigh it out

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

Names and synonyms

7 names
  • Phenyl sulfoxide
  • 1,1′-Sulfinylbis[benzene]
  • NSC 630195
  • NSC 6779
  • Sulfinyldibenzene
  • (Benzenesulfinyl)benzene
  • Benzene, 1,1′-sulfinylbis-

Work with Diphenyl sulfoxide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl phenyl sulfoxide1193-82-450 % similar 1,1′-Sulfinylbis[4-methylbenzene]1774-35-250 % similar 1,1′-Sulfinylbis[4-chlorobenzene]3085-42-550 % similar Zinc benzenesulfinate24308-84-744 % similar Sodium benzenesulfinate873-55-244 % similar Dibenzyl sulfoxide621-08-938 % similar Diphenyl sulfide139-66-235 % similar Iodobenzene591-50-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook