N-Allyl-4，5-dimethyl-2-(trimethylsilyl)thiophene-3-carboxamide - ≥98% , CAS No.175217-20-6

CAS: 175217-20-6 Cat. No.: N710391 Peso molecular: 267.46 Número EC: 605-752-9 PubChem CID: 9881821

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(SC(=C1C(=O)NCC=C)[Si](C)(C)C)C
• IUPAC Name: 4,5-dimethyl-N-prop-2-enyl-2-trimethylsilylthiophene-3-carboxamide
• InChIKey: MXMXHPPIGKYTAR-UHFFFAOYSA-N
• INCHI: 1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15)
• Isómeros SMILES: CC1=C(SC(=C1C(=O)NCC=C)[Si](C)(C)C)C
• PubChem CID: 9881821
• Peso molecular: 267.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: Alkylarylsilanes Heteroaromatic compounds Secondary carboxylic acid amides Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxamide - Alkylarylsilane - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic metalloid salt - Organic nitrogen compound - Organic salt - Organosilicon compound - Hydrocarbon derivative - Alkylsilane - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• External Descriptors: monocarboxylic acid amide - thiophenes - olefinic compound - amide fungicide - organosilicon compound

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 267.460 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 267.111 Da
• Monoisotopic Mass: 267.111 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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

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