2-Chloroethyl Methyl Sulfide - ≥98%(GC) , CAS No.542-81-4

CAS: 542-81-4 Cat. No.: C153648 Fórmula: C₃H₇ClS Peso molecular: 110.6 Beilstein Registry Number: 1731030 Número EC: 208-828-6

GRADE & PURITY ≥98%(GC)

Synonyms

METHYL .BETA.-CHLOROETHYL SULFIDE | BB 0261792 | DTXSID50202557 | (2-chloroethyl)methyl sulfide | FS-4217 | (2-Chloroethyl)(methyl)sulfane | .beta.-Chloroethyl methyl sulfide | InChI=1/C3H7ClS/c1-5-3-2-4/h2-3H2,1H | methylthioethylchloride | 2-chloroethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

2-Chloroethyl methyl sulfide is a monofunctional chemical analog of sulfur mustard and has been used to study the potential of 2,6-dithiopurine as an antagonist of sulfur mustard.

Specifications

Sinónimos

METHYL .BETA.-CHLOROETHYL SULFIDE | BB 0261792 | DTXSID50202557 | (2-chloroethyl)methyl sulfide | FS-4217 | (2-Chloroethyl)(methyl)sulfane | .beta.-Chloroethyl methyl sulfide | InChI=1/C3H7ClS/c1-5-3-2-4/h2-3H2,1H | methylthioethylchloride | 2-chloroethyl

Especificaciones y pureza

≥98%(GC)

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%(GC)

Nombres e identificadores

• Pubchem Sid: 508808255
• Sonrisas canónicas: CSCCCl
• IUPAC Name: 1-chloro-2-methylsulfanylethane
• InChIKey: MYFKLQFBFSHBPA-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3
• Isómeros SMILES: CSCCCl
• WGK Alemania: 3
• Peso molecular: 110.6
• Beilstein: 1731030
• Reaxy-Rn: 1731033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl 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

• Sensibilidad: Air sensitive;Heat sensitive
• Índice de refracción: 1.50
• Punto de inflamación (°F): 107.6 °F
• Punto de inflamación (°C): 42 °C
• Punto de ebullición (°C): 140 °C
• Peso molecular: 110.610 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.996 Da
• Monoisotopic Mass: 109.996 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• 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