Decyl Methanethiosulfonate - ≥95% , CAS No.190852-38-1

CAS: 190852-38-1 Cat. No.: D330706 Fórmula: C₁₁H₂₄O₂S₂ Peso molecular: 252.44

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Specifically and rapidly reacts with thiols to form mixed disulfides. It is used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488195170
• Sorrisos canónicos: CCCCCCCCCCSS(=O)(=O)C
• IUPAC Name: 1-methylsulfonylsulfanyldecane
• InChIKey: DOBVPKYSENAWGJ-UHFFFAOYSA-N
• INCHI: 1S/C11H24O2S2/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3
• SMILES isoméricas: CCCCCCCCCCSS(=O)(=O)C
• Peso molecular: 252.44
• Reaxy-Rn: 8143848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8143848&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: Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - 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

• Solubilidade: Soluble in Ethanol, Ethyl Acetate and Hexane
• Ponto de fusão (°C): 24-26°C (lit.)
• Peso molecular: 252.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 252.122 Da
• Monoisotopic Mass: 252.122 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• 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