chempirical

Dibenzothiophene sulfone

C12H8O2SCAS 1016-05-3216.25 g/mol

Open in Covalent MOL file
OSO
Sulfone

Properties

Molecular formula
C12H8O2S
Molar mass
216.25 g/mol
Exact mass
216.0245 Da
Melting point
229–230 °C
logP
2.50Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1016-05-3
SMILES
O=S1(=O)c2ccccc2-c2ccccc21
InChIKey
IKJFYINYNJYDTA-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H

Weigh it out

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

Names and synonyms

8 names
  • Dibenzothiophene, 5,5-dioxide
  • Diphenylene sulfone
  • Dibenzothiophene S,S-dioxide
  • Dibenzothiophene dioxide
  • Dibenzosulfolane
  • NSC 406519
  • NSC 627707
  • Dibenzo[b,d]thiophene 5,5-dioxide

Work with Dibenzothiophene sulfone

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

Diphenyl sulfone127-63-945 % similar 2-(Phenylsulfonyl)aniline4273-98-741 % similar 2-[(4-Hydroxyphenyl)sulfonyl]phenol5397-34-238 % similar 2-Nitrophenyl phenyl sulfone31515-43-235 % similar Dioxopromethazine13754-56-835 % similar 2-Chlorobenzenesulfonyl chloride2905-23-934 % similar 2-Aminobenzenesulfonamide3306-62-534 % similar 4-Chlorophenyl phenyl sulfone80-00-234 % similar

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

Elsewhere

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