Allyl methanethiosulfonate , CAS No.14202-77-8

CAS: 14202-77-8 Cat. No.: A275446 分子式: C₄H₈O₂S₂ 分子量: 152.24

Synonyms

ThiomethanesulfonicacidS-allylester

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

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

仕様

同義語

ThiomethanesulfonicacidS-allylester

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Sulfonyls

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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