4-Aminothiophene-2-sulfonamide - ≥95% , CAS No.17510-80-4

CAS: 17510-80-4 Cat. No.: A1028302 Peso molecular: 178.200 Número EC: 890-864-2

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(SC=C1N)S(=O)(=O)N
• IUPAC Name: 4-aminothiophene-2-sulfonamide
• InChIKey: JDYQZLNQRKFDKE-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2O2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H,5H2,(H2,6,7,8)
• Peso molecular: 178.200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass Aminothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Aminothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminothiophenes
• Alternative Parents: Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminothiophene - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminothiophenes. These are organic compounds containing an amino group attached to a thiophene 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: 178.200 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 177.987 Da
• Monoisotopic Mass: 177.987 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 208.000
• 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