chempirical

2-Chlorothioxanthone

C13H7ClOSCAS 86-39-5246.71 g/mol

Open in Covalent MOL file
OSCl
Aryl halide

Properties

Molecular formula
C13H7ClOS
Molar mass
246.71 g/mol
Exact mass
245.9906 Da
Density
1.53 g/mL
Melting point
174 °C
logP
4.07Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
86-39-5
SMILES
O=c1c2ccccc2sc2ccc(Cl)cc12
InChIKey
ZCDADJXRUCOCJE-UHFFFAOYSA-N
InChI
InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

Weigh it out

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

Names and synonyms

14 names · show all
  • 9H-Thioxanthen-9-one, 2-chloro-
  • Thioxanthen-9-one, 2-chloro-
  • 2-Chloro-9H-thioxanthen-9-one
  • 2-Chlorothiaxanthone
  • 2-Chlorothioxanthen-9-one
  • Sandoray 1050
  • UCI 100
  • Kayacure CTX
  • Quantacure CTX
  • Nisso cure CTX
  • Speedcure CTX
  • Kayacure DETA-S
  • CTX
  • Gencure CTX

Work with 2-Chlorothioxanthone

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

Thioxanthone492-22-866 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-356 % similar 2-Isopropylthioxanthone5495-84-156 % similar Solvent orange 6316294-75-049 % similar Isopropylthioxanthone83846-86-045 % similar Pigment red 2023089-17-645 % similar Dibenzothiophene132-65-043 % similar 2,4-Diethylthioxanthone82799-44-841 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook