4-Aminothiobenzamide - ≥97% , CAS No.4714-67-4

CAS: 4714-67-4 Cat. No.: A170492 Fórmula: C₇H₈N₂S Peso molecular: 152.22 Número EC: 610-329-7

GRADE & PURITY ≥97%

Synonyms

4-AMINOBENZOTHIOAMIDE | 4-Aminothiobenzamide, 97% | AKOS000218303 | NSC 18337 | NSC18337 | NSC-18337 | WLN: ZR DVM2N2&2 &S-O4 | DTXSID40197049 | p-Aminobenzothiamide | 4-amino(thiobenzamide) | Benzamide, p-aminothio- | RWB1B05E2V | p-Aminothiobenzamide |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

4-AMINOBENZOTHIOAMIDE | 4-Aminothiobenzamide, 97% | AKOS000218303 | NSC 18337 | NSC18337 | NSC-18337 | WLN: ZR DVM2N2&2 &S-O4 | DTXSID40197049 | p-Aminobenzothiamide | 4-amino(thiobenzamide) | Benzamide, p-aminothio- | RWB1B05E2V | p-Aminothiobenzamide |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528760269

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760269

Sonrisas canónicas

C1=CC(=CC=C1C(=S)N)N

IUPAC Name

4-aminobenzenecarbothioamide

InChIKey

LZJVSPPXXGXGQL-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C1=CC(=CC=C1C(=S)N)N

WGK Alemania

3

Peso molecular

152.22

Reaxy-Rn

2802376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802376&ln=

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 325.6±44.0 °C at 760 mmHg
• Peso molecular: 152.220 g/mol
• XLogP3: 1.100
• 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: 128.000
• 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