Phenoxathiin

C12H8OSCAS 262-20-4200.25 g/mol

Open in Covalent MOL file
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)
Water solubility
< 1 g/L (21.1 °C)
logP
3.94Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2,2'-Diaminodiphenyl sulfide5873-51-842 % similar Xanthene92-83-142 % similar Phenothiazine92-84-242 % similar 2-Methoxythioanisole2388-73-039 % similar 10,10'-Oxybisphenoxarsine58-36-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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