Allyl methanethiosulfonate , CAS No.14202-77-8

CAS: 14202-77-8 Cat. No.: A275446 Formula: C₄H₈O₂S₂ Peso molecolare: 152.24

Synonyms

ThiomethanesulfonicacidS-allylester

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

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

Specifications

Sinonimi

ThiomethanesulfonicacidS-allylester

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CS(=O)(=O)SCC=C
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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