chempirical

Phenoxathiin

C12H8OSCAS 262-20-4200.25 g/mol

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OS
EtherSulfide

Properties

Molecular formula
C12H8OS
Molar mass
200.25 g/mol
Exact mass
200.0296 Da
Melting point
57.5–58 °C
Boiling point
120–121 °C (at 1 Torr)
logP
3.94Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
262-20-4
SMILES
c1ccc2c(c1)Oc1ccccc1S2
InChIKey
GJSGGHOYGKMUPT-UHFFFAOYSA-N
InChI
InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H

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Names and synonyms

6 names
  • Dibenzothioxin
  • Phenothioxin
  • Phenoxthin
  • Phenoxathiane
  • NSC 464
  • RJC 03297

Reactions

Work with Phenoxathiin

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

Thianthrene92-85-356 % similar B-4-Phenoxathiinylboronic acid100124-07-052 % similar Phenoxazine135-67-142 % similar Xanthene92-83-142 % similar Phenothiazine92-84-242 % similar 10,10′-Oxybisphenoxarsine58-36-638 % similar 10-Methylphenothiazine1207-72-337 % similar 9,9-Dimethyl-9H-xanthene19814-75-637 % similar

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

Elsewhere

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