2-Aminobenzothioamide - ≥95% , CAS No.2454-39-9

CAS: 2454-39-9 Cat. No.: A699623 Fórmula: C₇H₈N₂S Peso molecular: 152.22 Número EC: 607-399-6 PubChem CID: 1550990

CALIDAD & PUREZA ≥95%

Synonyms

Thioanthranilamide | 2-AMINO-THIOBENZAMIDE

Storage

Protected from light,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Thioanthranilamide | 2-AMINO-THIOBENZAMIDE

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC=C(C(=C1)C(=S)N)N

IUPAC Name

2-aminobenzenecarbothioamide

InChIKey

HPZKAJRFABCGFF-UHFFFAOYSA-N

INCHI

1S/C7H8N2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)

Isómeros SMILES

C1=CC=C(C(=C1)C(=S)N)N

PubChem CID

1550990

Peso molecular

152.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: 152.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.041 Da
• Monoisotopic Mass: 152.041 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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