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

CAS: 4714-67-4 Cat. No.: A170492 Formula: C₇H₈N₂S Peso molecolare: 152.22 Numero 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

Sinonimi

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 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528760269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528760269
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC(=CC=C1C(=S)N)N
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 325.6±44.0 °C at 760 mmHg
• Peso molecolare: 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

Riferimenti

1. Dawei Jin, Pengfei Li, Yu Sun, Yanjun Pan, Jiang Yuan, Meng Yin.  (2025)  Endothelium-Protective, Intimal Hyperplasia-Resistant PCL/KAT Scaffold for Vascular Implants.  ACS Applied Bio Materials,      [PMID:41269124] [10.1021/acsabm.5c01768]