chempirical

Thiobenzophenone

C13H10SCAS 1450-31-3198.28 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C13H10S
Molar mass
198.28 g/mol
Exact mass
198.0503 Da
logP
3.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1450-31-3
SMILES
C1=CC=C(C=C1)C(=S)C2=CC=CC=C2
InChIKey
XDDVRYDDMGRFAZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

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Names and synonyms

7 names
  • Diphenylmethanethione
  • Benzothione
  • Methanethione, diphenyl-
  • Benzothiophenone
  • Benzophenone, thio-
  • Diphenyl methanethione
  • Diphenyl-methanethione

Reactions

Work with Thiobenzophenone

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

Tetraphenylethylene632-51-950 % similar 4,4'-Bis(dimethylamino)thiobenzophenone1226-46-644 % similar Benzophenone imine1013-88-343 % similar Benzophenone119-61-943 % similar Benzil134-81-643 % similar Tetraphenyl butadiene1450-63-143 % similar 2,3-Diphenylbuta-1,3-diene2548-47-243 % similar 1,1-Diphenylethylene530-48-343 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook