Ethyl tosylcarbamate - ≥95% , CAS No.5577-13-9

CAS: 5577-13-9 Cat. No.: E193929 Peso molecular: 243.28 Número EC: 226-952-9

GRADE & PURITY ≥95%

Synonyms

AKOS016011457 | Ethyl ((4-methylphenyl)sulphonyl)carbamate | ETHYL-4-TOLUENESULFONYL CARBAMATE | Ethyl (p-tolylsulfonyl)carbamate | Ethyl [(4-Methylphenyl)sulphonyl]carbamate; Gliclazide Imp. C (EP); Gliclazide Impurity C | N-tosylurethane | Ethyl (p- Tol

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

AKOS016011457 | Ethyl ((4-methylphenyl)sulphonyl)carbamate | ETHYL-4-TOLUENESULFONYL CARBAMATE | Ethyl (p-tolylsulfonyl)carbamate | Ethyl [(4-Methylphenyl)sulphonyl]carbamate; Gliclazide Imp. C (EP); Gliclazide Impurity C | N-tosylurethane | Ethyl (p- Tol

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
• IUPAC Name: ethyl N-(4-methylphenyl)sulfonylcarbamate
• InChIKey: DFWQXANLGSXMKF-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
• Isómeros SMILES: CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
• Peso molecular: 243.28
• Reaxy-Rn: 1315116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1315116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Organosulfonic acids and derivatives Aminosulfonyl compounds Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carbonic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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: 243.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.057 Da
• Monoisotopic Mass: 243.057 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 325.000
• 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