(4-(Chloromethyl)phenyl)(phenyl)sulfane - ≥95% , CAS No.1208-87-3

CAS: 1208-87-3 Cat. No.: C586600 Peso molecular: 234.74

GRADE & PURITY ≥95%

Synonyms

Benzene, 1-(chloromethyl)-4-(phenylthio)- | BAA20887 | FT-0655308 | 4-Phenylthio Benzyl Chloride | NSC 43056 | (4-(Chloromethyl)phenyl)(phenyl)sulfane | 4-(Phenylthio)benzyl chloride | MFCD09907764 | SCHEMBL2994386 | AS-63971 | C71727 | AKOS015888812 | 1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Benzene, 1-(chloromethyl)-4-(phenylthio)- | BAA20887 | FT-0655308 | 4-Phenylthio Benzyl Chloride | NSC 43056 | (4-(Chloromethyl)phenyl)(phenyl)sulfane | 4-(Phenylthio)benzyl chloride | MFCD09907764 | SCHEMBL2994386 | AS-63971 | C71727 | AKOS015888812 | 1-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)SC2=CC=C(C=C2)CCl
• IUPAC Name: 1-(chloromethyl)-4-phenylsulfanylbenzene
• InChIKey: RLFHPRWHJYDGSD-UHFFFAOYSA-N
• INCHI: 1S/C13H11ClS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)CCl
• Peso molecular: 234.74
• Reaxy-Rn: 2558066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2558066&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: Diarylthioethers
• Alternative Parents: Thiophenol ethers Benzyl chlorides Sulfenyl compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Benzyl halide - Benzyl chloride - Thiophenol ether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

• Peso molecular: 234.740 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 234.027 Da
• Monoisotopic Mass: 234.027 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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