chempirical

Thioxanthone

C13H8OSCAS 492-22-8212.27 g/mol

Open in Covalent MOL file
OS

Properties

Molecular formula
C13H8OS
Molar mass
212.27 g/mol
Exact mass
212.0296 Da
Melting point
209 °C
Boiling point
373 °C
logP
3.41Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
492-22-8
SMILES
O=c1c2ccccc2sc2ccccc12
InChIKey
YRHRIQCWCFGUEQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H

Weigh it out

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

Names and synonyms

18 names · show all
  • 9H-Thioxanthen-9-one
  • Thioxanthen-9-one
  • Thiaxanthone
  • 9H-Thioxanthene, 9-oxo-
  • Thioxanthenone
  • 10-Thioxanthone
  • Thiaxanthenone
  • 9-Thioxanthone
  • Thiaxanthon
  • 9H-Thiaxanthen-9-one
  • Thioxanthone TX
  • NSC 15912
  • NSC 54677
  • NSC 658181
  • 9-Thianthracen-10-one
  • Esacure ITX
  • Dibenzo[b,e]thiopyran-10-one
  • TX

Work with Thioxanthone

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

2-Chlorothioxanthone86-39-566 % similar Dibenzothiophene132-65-065 % similar Solvent orange 6316294-75-060 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-359 % similar 2-Isopropylthioxanthone5495-84-159 % similar Isopropylthioxanthone83846-86-055 % similar Dibenzo[A,D]cyclohepten-5-one2222-33-550 % similar 2,4-Diethylthioxanthone82799-44-849 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia