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

CAS: 4714-67-4 Cat. No.: A170492 Fórmula: C₇H₈N₂S Peso molecular: 152.22 Número CE: 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

Armazenar a 2-8°C, protegido da luz

Shipped In

Gelo húmido

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 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, protegido da luz

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528760269

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Ponto de ebulição (°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