122440

Thianthrene

97%

• Synonym(s): Dibenzodithiodioxane
• Empirical Formula (Hill Notation): C₁₂H₈S₂
• CAS Number: 92-85-3
• Molecular Weight: 216.32
• Beilstein: 83046
• EC Number: 202-197-0
• MDL number: MFCD00005065
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847488
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• bp: 364-366 °C (lit.)
• mp: 151-155 °C (lit.)
• solubility: DMF: soluble; H₂O: insoluble
• SMILES string: S1c2ccccc2Sc3ccccc13
• InChI: 1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
• InChI key: GVIJJXMXTUZIOD-UHFFFAOYSA-N

Description

General description

Thianthrene undergoes liquid phase tert-butylation in the presence of large pore zeolites and mesoporous aluminosilicates catalyst to yield tert-butyl derivatives. Thianthrene on oxidation in the presence of hydrogen peroxide and ligninase as catalyst from Phanerochaete chrysosporium yields thianthrene monosulfoxide.

Application

Thianthrene has been used to study aqueous solubilities of several solid nitrogen-, sulfur- and oxygen-containing heterocyclic derivatives of anthracene, phenanthrene and fluorene. It has been used in determination of partition coefficients of several sulfur-containing aromatics in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and supercritical carbon dioxide.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves