chempirical

Solvent orange 63

C23H12OSCAS 16294-75-0336.41 g/mol

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OS

Properties

Molecular formula
C23H12OS
Molar mass
336.41 g/mol
Exact mass
336.0609 Da
logP
6.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
16294-75-0
SMILES
O=c1c2ccccc2c2ccc3sc4ccccc4c4ccc1c2c34
InChIKey
NVNWZZLOQBHTCW-UHFFFAOYSA-N
InChI
InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H

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Names and synonyms

7 names
  • 14H-Anthra[2,1,9-mna]thioxanthen-14-one
  • Fluorescent red GG
  • C.I. Solvent orange 63
  • Hostasol red GG
  • Day-glo ozark orange
  • C.I. 68550
  • D 063

Work with Solvent orange 63

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

Thioxanthone492-22-860 % similar 2-Chlorothioxanthone86-39-549 % similar Dibenzothiophene132-65-048 % similar Solvent yellow 9812671-74-848 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-345 % similar 2-Isopropylthioxanthone5495-84-145 % similar Benzo[B]naphtho[1,2-D]thiophene205-43-644 % similar Indanthrone blue81-77-641 % similar

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

Elsewhere

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