chempirical

Solvent yellow 163

C26H16O2S2CAS 13676-91-0424.53 g/mol

Open in Covalent MOL file
OSOS
KetoneSulfide

Properties

Molecular formula
C26H16O2S2
Molar mass
424.53 g/mol
Exact mass
424.0592 Da
Melting point
187 °C
logP
6.76Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
13676-91-0
SMILES
O=C1c2cccc(Sc3ccccc3)c2C(=O)c2c(Sc3ccccc3)cccc21
InChIKey
CNRPDCKHCGUKDK-UHFFFAOYSA-N
InChI
InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H

Weigh it out

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

Names and synonyms

16 names · show all
  • 9,10-Anthracenedione, 1,8-bis(phenylthio)-
  • Anthraquinone, 1,8-bis(phenylthio)-
  • 1,8-Bis(phenylthio)-9,10-anthracenedione
  • 1,8-Bis(phenylthio)anthraquinone
  • C.I. 58840
  • C.I. Solvent yellow 163
  • Oracet yellow GHS
  • Oplas yellow 120
  • Morplas yellow GS
  • NSC 156516
  • Dymic MBR-D 05
  • Oracet GHS
  • KP plast yellow HK
  • Teratop yellow HL-G
  • Dymic MBR-D 05 yellow
  • Oracet yellow 180

Work with Solvent yellow 163

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

1,8-Dichloroanthraquinone82-43-947 % similar 1,8-Dihydroxyanthraquinone117-10-246 % similar Anthraquinone84-65-145 % similar 1-Chloroanthraquinone82-44-044 % similar 1-Hydroxyanthraquinone129-43-143 % similar Dianthrimide82-22-443 % similar 1-Aminoanthraquinone82-45-143 % similar Dibenzo[B,E]thiepin-11(6H)-one1531-77-741 % similar

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

Elsewhere

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