Tioxolone

C7H4O3SCAS 4991-65-5168.17 g/mol

Open in Covalent MOL file
OOOHS
Phenol

Properties

Molecular formula
C7H4O3S
Molar mass
168.17 g/mol
Exact mass
167.9881 Da
Melting point
160 °C
logP
1.56Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4991-65-5
SMILES
O=c1oc2cc(O)ccc2s1
InChIKey
SLYPOVJCSQHITR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,3-Benzoxathiol-2-one, 6-hydroxy-
  • 6-Hydroxy-1,3-benzoxathiol-2-one
  • 6-Hydroxy-2-oxo-1,3-benzoxathiole
  • 6-Hydroxy-2-oxobenzoxathiole
  • Acnosan
  • Camyna
  • OL 110
  • Stepin
  • Thidoxol
  • Thioxolon
  • Tioxolon
  • Thioxolone
  • Acnosan (antiseborrheic)
  • 6-Hydroxybenz[d]oxathiol-2-one
  • 6-(Hydroxy)benzo[d][1,3]oxathiol-2-one

Work with Tioxolone

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

Umbelliferone93-35-644 % similar Urolithin A1143-70-042 % similar Urolithin B1139-83-940 % similar Sieber linker3722-51-840 % similar 6-Hydroxycoumarin6093-68-139 % similar Coumestrol479-13-039 % similar 4-Methylumbelliferone90-33-539 % similar 4′,7-Dihydroxyflavone2196-14-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia