chempirical

Isopropylthioxanthone

C16H14OSCAS 83846-86-0254.35 g/mol

Open in Covalent MOL file
OS

Properties

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

Identifiers

CAS number
83846-86-0
SMILES
CC(C)c1cccc2c(=O)c3ccccc3sc12
InChIKey
IKVYHNPVKUNCJM-UHFFFAOYSA-N
InChI
InChI=1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 9H-Thioxanthen-9-one, 4-(1-methylethyl)-
  • 4-(1-Methylethyl)-9H-thioxanthen-9-one
  • 4-Isopropylthioxanthone
  • 4-Isopropyl-9-thioxanthone
  • 4-Isopropyl-9H-thioxanthen-9-one

Work with 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

Thioxanthone492-22-855 % similar 2-Chlorothioxanthone86-39-545 % similar 2,4-Diethylthioxanthone82799-44-845 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-339 % similar Solvent orange 6316294-75-039 % similar 4-Bromodibenzothiophene97511-05-238 % similar 4-Iododibenzothiophene132034-89-037 % similar Dibenzothiophene132-65-035 % similar

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

Same formula

2-Isopropylthioxanthone5495-84-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia