p-Tolyl disulfide - ≥98% , CAS No.103-19-5

CAS: 103-19-5 Cat. No.: T101280 Peso molecular: 246.39 Beilstein Registry Number: 6(4)2206 Número EC: 203-087-5 PubChem CID: 66027

GRADE & PURITY ≥98%

Synonyms

4-Methylphenyl disulfide | Di-4-tolyl disulphide | 4-Tolyl disulfide | MFCD00008547 | 1-Methyl-4-[(4-methylphenyl)disulfanyl]benzene # | bis-(p-tolyl)disulfide | p-Tolyldisulfide | p-tolyl-disulfide | 1-methyl-4-(4-methylphenyl)disulfanylbenzene | Bis(p-t

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Methylphenyl disulfide | Di-4-tolyl disulphide | 4-Tolyl disulfide | MFCD00008547 | 1-Methyl-4-[(4-methylphenyl)disulfanyl]benzene # | bis-(p-tolyl)disulfide | p-Tolyldisulfide | p-tolyl-disulfide | 1-methyl-4-(4-methylphenyl)disulfanylbenzene | Bis(p-t

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C
• IUPAC Name: 1-methyl-4-[(4-methylphenyl)disulfanyl]benzene
• InChIKey: TZOVOULUMXXLOJ-UHFFFAOYSA-N
• INCHI: 1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C
• WGK Alemania: 3
• RTECS: JO1526250
• PubChem CID: 66027
• Peso molecular: 246.39
• Beilstein: 6(4)2206
• Reaxy-Rn: 1912597

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Organic disulfides Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de fusión (°C): 43-46°C
• Peso molecular: 246.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.054 Da
• Monoisotopic Mass: 246.054 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 167.000
• 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