1,2-Bis(phenylthio)ethylene (cis- and trans- mixture) - ≥98% , CAS No.23528-44-1

CAS: 23528-44-1 Cat. No.: B152488 Peso molecular: 244.37 Número EC: 678-210-2

GRADE & PURITY ≥98%

Synonyms

AKOS037646019 | ([(E)-2-(Phenylsulfanyl)ethenyl]sulfanyl)benzene # | UHGSEDVQATYWGI-VAWYXSNFSA-N | AS-65814 | MFCD00155276 | 1,2-Bis(phenylthio)ethene | Benzene, 1,1'-[1,2-ethenediylbis(thio)]bis- | {[2-(PHENYLSULFANYL)ETHENYL]SULFANYL}BENZENE | SCHEMBL95

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS037646019 | ([(E)-2-(Phenylsulfanyl)ethenyl]sulfanyl)benzene # | UHGSEDVQATYWGI-VAWYXSNFSA-N | AS-65814 | MFCD00155276 | 1, 2-Bis(phenylthio)ethene | Benzene, 1, 1'-[1, 2-ethenediylbis(thio)]bis- | {[2-(PHENYLSULFANYL)ETHENYL]SULFANYL}BENZENE | SCHEMBL95

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)SC=CSC2=CC=CC=C2
• IUPAC Name: [(E)-2-phenylsulfanylethenyl]sulfanylbenzene
• InChIKey: UHGSEDVQATYWGI-VAWYXSNFSA-N
• INCHI: 1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b12-11+
• Isómeros SMILES: C1=CC=C(C=C1)S/C=C/SC2=CC=CC=C2
• Peso molecular: 244.37
• Reaxy-Rn: 2099691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2099691&ln=

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: Benzene and substituted derivatives Thioenol ethers Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Benzenoid - Monocyclic benzene moiety - Thioenolether - 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
• Sensibilidad: Heat Sensitive
• Punto de ebullición (°C): 166°C/0.8mmHg(lit.)
• Punto de fusión (°C): 48°C(lit.)
• Peso molecular: 244.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 244.038 Da
• Monoisotopic Mass: 244.038 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1