GRADE & PURITY ≥98%

Synonyms

DTXSID8060743 | CARBOHYDRAZIDE, 1,5-DIPHENYL-3-THIO- | N',2-Diphenylhydrazine-1-carbothiohydrazide | AI3-00863 | 1,5-Diphenyl-3-thiocarbohydrazide | 1,5-Diphenylthiocarbohydrazide | BRN 0752040 | N'',N'''-Diphenylthiocarbonohydrazide | 2,2'-Diphenylcarbon

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

DTXSID8060743 | CARBOHYDRAZIDE, 1, 5-DIPHENYL-3-THIO- | N', 2-Diphenylhydrazine-1-carbothiohydrazide | AI3-00863 | 1, 5-Diphenyl-3-thiocarbohydrazide | 1, 5-Diphenylthiocarbohydrazide | BRN 0752040 | N'', N'''-Diphenylthiocarbonohydrazide | 2, 2'-Diphenylcarbon

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)NNC(=S)NNC2=CC=CC=C2
• IUPAC Name: 1,3-dianilinothiourea
• InChIKey: BNSNUHPJRKTRNT-UHFFFAOYSA-N
• INCHI: 1S/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
• Isómeros SMILES: C1=CC=C(C=C1)NNC(=S)NNC2=CC=CC=C2
• RTECS: FF2800000
• Peso molecular: 258.34
• Reaxy-Rn: 752040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=752040&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• 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

• Solubilidad: Slightly soluble in Ethanol
• Sensibilidad: Light Sensitive,Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 155 °C
• Peso molecular: 258.339 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.094 Da
• Monoisotopic Mass: 258.094 Da
• Topological Polar Surface Area: 80.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 223.000
• 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