Phenylbis(phenylthio)methane - ≥98% , CAS No.7695-69-4

CAS: 7695-69-4 Cat. No.: P404951 Fórmula: C₁₉H₁₆S₂ Peso molecular: 308.46 Número EC: 667-682-5 PubChem CID: 608010

GRADE & PURITY ≥98%

Synonyms

AKOS005438741 | (Phenylmethylene)bis(phenylsulfane) | D95439 | ([Phenyl(phenylsulfanyl)methyl]sulfanyl)benzene # | Phenylbis(phenylthio)methane | [bis(phenylsulfanyl)methyl]benzene | Methane, phenylbis(phenylthio)- | AS-75987 | 1,1'-[(phenylmethanediyl)di

Storage

Room temperature

Specifications

Sinónimos

AKOS005438741 | (Phenylmethylene)bis(phenylsulfane) | D95439 | ([Phenyl(phenylsulfanyl)methyl]sulfanyl)benzene # | Phenylbis(phenylthio)methane | [bis(phenylsulfanyl)methyl]benzene | Methane, phenylbis(phenylthio)- | AS-75987 | 1,1'-[(phenylmethanediyl)di

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488190694

Sonrisas canónicas

C1=CC=C(C=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3

IUPAC Name

bis(phenylsulfanyl)methylbenzene

InChIKey

GSXZQHRYDJLRRT-UHFFFAOYSA-N

INCHI

1S/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H

Isómeros SMILES

C1=CC=C(C=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3

PubChem CID

608010

Peso molecular

308.46

Reaxy-Rn

1978603

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Dithioacetals Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Thioacetal - Sulfenyl compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Punto de ebullición (°C): 184 °C/1 mmHg
• Punto de fusión (°C): 51 °C
• Peso molecular: 308.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 308.069 Da
• Monoisotopic Mass: 308.069 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 253.000
• 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

Preguntas frecuentes

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.

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

The CAS Number is 7695-69-4, the molecular formula is C19H16S2, and the molecular weight is 308.46 g/mol. InChIKey GSXZQHRYDJLRRT-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.