S-Methyl-N,N-diethylthiocarbamate Sulfone (MeDTC) , CAS No.155514-79-7

CAS: 155514-79-7 Cat. No.: S275177 Peso molecular: 179.24 PubChem CID: 3552889

Synonyms

N,N-diethyl-1-methylsulfonyl-formamide | starbld0006179 | DTXSID10393576 | MEDTC | N,N-DIETHYL-1-METHANESULFONYLFORMAMIDE | FT-0671682 | N,N-diethyl-1-methylsulfonylformamide | HY-115757 | S-Methyl-N,N-diethylthiocarbamate Sulfone | AKOS006273160 | N,N-di

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

N, N-diethyl-1-methylsulfonyl-formamide | starbld0006179 | DTXSID10393576 | MEDTC | N, N-DIETHYL-1-METHANESULFONYLFORMAMIDE | FT-0671682 | N, N-diethyl-1-methylsulfonylformamide | HY-115757 | S-Methyl-N, N-diethylthiocarbamate Sulfone | AKOS006273160 | N, N-di

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C(=O)S(=O)(=O)C
• IUPAC Name: N,N-diethyl-1-methylsulfonylformamide
• InChIKey: XRFGLFAEBISDIV-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO3S/c1-4-7(5-2)6(8)11(3,9)10/h4-5H2,1-3H3
• Isómeros SMILES: CCN(CC)C(=O)S(=O)(=O)C
• PubChem CID: 3552889
• Peso molecular: 179.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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

• Peso molecular: 179.240 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.062 Da
• Monoisotopic Mass: 179.062 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 223.000
• 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