Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Thianthrene

Related Products

Hot Products

Name

Thianthrene

EINECS 202-197-0
CAS No. 92-85-3 Density 1.31 g/cm3
PSA 50.60000 LogP 4.30240
Solubility N/A Melting Point 151-155 °C
Formula C12H8S2 Boiling Point 344.9 °C at 760 mmHg
Molecular Weight 216.328 Flash Point 170.8 °C
Transport Information N/A Appearance White or slight yellow powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 92-85-3 (Thianthrene) Hazard Symbols N/A
Synonyms

Dibenzodithiodioxane;NSC 439;Thianthren;

Article Data 156

Thianthrene Specification

The IUPAC name of this chemical is thianthrene. With the CAS registry number 92-85-3, it is also named as 9,10-Dithiaanthracene. The product's categories are  Xanthones; Heterocyclic Building Blocks; Others; S-Containing. It is white or slight yellow powder which a sulfur-containing heterocyclic chemical compound. Unlike dioxins, the shape of thianthrene is not planar. It is bent, with an angle of 128° between the two benzene. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 1750.65; (6)ACD/BCF (pH 7.4): 1750.65; (7)ACD/KOC (pH 5.5): 7295.92; (8)ACD/KOC (pH 7.4): 7295.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.724; (13)Molar Refractivity: 65.5 cm3; (14)Molar Volume: 165 cm3; (15)Polarizability: 25.96×10-24 cm3; (16)Surface Tension: 59.2 dyne/cm; (17)Enthalpy of Vaporization: 56.56 kJ/mol; (18)Vapour Pressure: 0.000128 mmHg at 25°C; (19)Exact Mass: 216.006742; (20)MonoIsotopic Mass: 216.006742; (21)Topological Polar Surface Area: 50.6; (22)Heavy Atom Count: 14; (23)Complexity: 163.

Preparation of Thianthrene: It can be obtained by benzo[1,2,3]thiadiazole. This reaction needs reagent di-tert-butyl peroxide and solvent benzene. The reaction time is 18 hours. The yield is 85%.

Uses of Thianthrene: It is used in organic synthesis. It also can used to produce thianthrene-5-oxide. This reaction needs reagents 30 percent H2O2, [CH3(n-C8H17)3N]HSO4, C6H5PO3H2 and catalytic agent Na2WO4*2H2O.

People can use the following data to convert to the molecule structure. 
1. SMILES:S1c3c(Sc2c1cccc2)cccc3
2. InChI:InChI=1/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H 
3. InChIKey:GVIJJXMXTUZIOD-UHFFFAOYAT

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 92-85-3