Thianthrene - ≥98% , CAS No.92-85-3

CAS: 92-85-3 Cat. No.: T101325 Fórmula: C₁₂H₈S₂ Peso molecular: 216.32 Beilstein Registry Number: 83046 Número CE: 202-197-0 PubChem CID: 7109

GRADE & PURITY ≥98%

Synonyms

DIPHENYLENE DISULFIDE | W-100269 | AC7909 | AC-16498 | AI3-00638 | THIANTHRENE | AKOS000279684 | C12H8S2 | MFCD00005065 | AB00990919-03 | AMY42331 | SY051640 | CHEBI:64511 | DTXSID6059071 | Q424898 | CU-00000000457-1 | FT-0631458 | A844367 | NCGC00341178-

Storage

Room temperature

Shipped In

Normal

Visão geral

Thianthrene has been used to study the water solubility of several solid heterocyclic derivatives of anthracene, phenanthrene and fluorene containing nitrogen, sulfur and oxygen. It has been used to determine the partition coefficients of several sulfur-containing aromatic hydrocarbons in 1-hexyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide and supercritical carbon dioxide.

Specifications

Sinónimos

DIPHENYLENE DISULFIDE | W-100269 | AC7909 | AC-16498 | AI3-00638 | THIANTHRENE | AKOS000279684 | C12H8S2 | MFCD00005065 | AB00990919-03 | AMY42331 | SY051640 | CHEBI:64511 | DTXSID6059071 | Q424898 | CU-00000000457-1 | FT-0631458 | A844367 | NCGC00341178-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488180293
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180293
• Sorrisos canónicos: C1=CC=C2C(=C1)SC3=CC=CC=C3S2
• IUPAC Name: thianthrene
• InChIKey: GVIJJXMXTUZIOD-UHFFFAOYSA-N
• INCHI: 1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
• SMILES isoméricas: C1=CC=C2C(=C1)SC3=CC=CC=C3S2
• WGK Alemanha: 3
• PubChem CID: 7109
• Peso molecular: 216.32
• Beilstein: 83046
• Reaxy-Rn: 83046

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodithiins
      • Subclass 1,4-benzodithiins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodithiins
• Subclass: 1,4-benzodithiins
• Intermediate Tree Nodes: Not available
• Direct Parent: Thianthrenes
• Alternative Parents: Diarylthioethers Benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thianthrene - Diarylthioether - Aryl thioether - Benzenoid - Thioether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thianthrenes. These are organic compounds containing a thianthrene moiety. Thianthrene is a tricyclic ring system that consists of two benzene rings fused to each other through a 1,4-dithiin ring.
• External Descriptors: organosulfur heterocyclic compound - thianthrenes - mancude organic heterotricyclic parent

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Benzene
• Ponto de ebulição (°C): 364-366°C
• Ponto de fusão (°C): 151-155°C
• Peso molecular: 216.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.007 Da
• Monoisotopic Mass: 216.007 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 92-85-3, the molecular formula is C12H8S2, and the molecular weight is 216.32 g/mol. InChIKey GVIJJXMXTUZIOD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.