Allyl methanethiosulfonate , CAS No.14202-77-8

CAS: 14202-77-8 Cat. No.: A275446 Fórmula: C₄H₈O₂S₂ Peso molecular: 152.24

Synonyms

ThiomethanesulfonicacidS-allylester

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Sinónimos

ThiomethanesulfonicacidS-allylester

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Sorrisos canónicos

CS(=O)(=O)SCC=C

IUPAC Name

3-methylsulfonylsulfanylprop-1-ene

InChIKey

UWKDUBWNZZTSQL-UHFFFAOYSA-N

INCHI

1S/C4H8O2S2/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3

SMILES isoméricas

CS(=O)(=O)SCC=C

Peso molecular

152.24

Reaxy-Rn

1751183

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfonyls

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Sulfonyls
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyls
• Alternative Parents: Allyl sulfur compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Allyl sulfur compound - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfonyls. These are compounds containing the sulfonyl group, with the general structure RS(=O)2R' ( R,R' must not be H).
• 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

Propriedades químicas e físicas

• Peso molecular: 152.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.997 Da
• Monoisotopic Mass: 151.997 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 151.000
• 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