chempirical

Thianthrene

C12H8S2CAS 92-85-3216.32 g/mol

Open in Covalent MOL file
SS
Sulfide

Properties

Molecular formula
C12H8S2
Molar mass
216.32 g/mol
Exact mass
216.0067 Da
Density
1.43 g/mL
Melting point
159.3 °C
Boiling point
365 °C
logP
4.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
92-85-3
SMILES
c1ccc2c(c1)Sc1ccccc1S2
InChIKey
GVIJJXMXTUZIOD-UHFFFAOYSA-N
InChI
InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

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Names and synonyms

3 names
  • Thianthren
  • Dibenzodithiodioxane
  • NSC 439

Work with Thianthrene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenothiazine92-84-256 % similar 10-Methylphenothiazine1207-72-348 % similar Thianthrene-1-boronic acid108847-76-344 % similar Bis(2-aminophenyl) disulfide1141-88-440 % similar 2-(Phenylthio)aniline1134-94-739 % similar Mesulfen135-58-038 % similar Phenothiazine-10-carbonyl chloride18956-87-137 % similar Dibenzo[B,F][1,4]thiazepin-11(10H)-one3159-07-737 % similar

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

Elsewhere

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