chempirical

2-Isopropylthioxanthone

C16H14OSCAS 5495-84-1254.35 g/mol

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SO

Properties

Molecular formula
C16H14OS
Molar mass
254.35 g/mol
Exact mass
254.0765 Da
Melting point
77.5 °C
logP
4.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5495-84-1
SMILES
CC(C)c1ccc2sc3ccccc3c(=O)c2c1
InChIKey
KTALPKYXQZGAEG-UHFFFAOYSA-N
InChI
InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

21 names · show all
  • 9H-Thioxanthen-9-one, 2-(1-methylethyl)-
  • Thioxanthen-9-one, 2-isopropyl-
  • 2-(1-Methylethyl)-9H-thioxanthen-9-one
  • Quantacure 597
  • Quantacure 659
  • Quantacure ITX
  • 2-Isopropylthioxanthen-9-one
  • 2-ITX
  • Speedcure ITX
  • Photocure ITX-P
  • ITX
  • Omnirad ITX
  • JRCure ITX
  • 2-Isopropyl-9H-thioxanthen-9-one
  • 2-Isopropylthioxanthenone
  • GR-ITX
  • PI-ITX
  • Speedcure 2ITX
  • Gencure ITX
  • 2-Propan-2-ylthioxanthen-9-one
  • Lunacure 2ITX

Work with 2-Isopropylthioxanthone

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

Thioxanthone492-22-859 % similar 2-Chlorothioxanthone86-39-556 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-352 % similar Solvent orange 6316294-75-045 % similar 2,4-Diethylthioxanthone82799-44-842 % similar 2-Isopropylnaphthalene2027-17-039 % similar Dibenzothiophene132-65-039 % similar 1,3-Diisopropylbenzene99-62-737 % similar

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

Same formula

Isopropylthioxanthone83846-86-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook