4-(2,2-Dimethylpropionyl)-3-thiosemicarbazide - ≥95% , CAS No.914347-05-0

CAS: 914347-05-0 Cat. No.: D188157 Peso molecular: 175.25

GRADE & PURITY ≥95%

Synonyms

N-(Hydrazinecarbothioyl)-2,2-dimethylpropanamide | 3-amino-1-(2,2-dimethylpropanoyl)thiourea | PROPANAMIDE,N-(HYDRAZINYLTHIOXOMETHYL)-2,2-DIMETHYL- | DTXSID20661738 | SB85948 | 4-(2,2-Dimethylpropionyl)-3-thiosemicarbazide | J-513255 | DS-0208 | N-(Hydraz

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

N-(Hydrazinecarbothioyl)-2, 2-dimethylpropanamide | 3-amino-1-(2, 2-dimethylpropanoyl)thiourea | PROPANAMIDE, N-(HYDRAZINYLTHIOXOMETHYL)-2, 2-DIMETHYL- | DTXSID20661738 | SB85948 | 4-(2, 2-Dimethylpropionyl)-3-thiosemicarbazide | J-513255 | DS-0208 | N-(Hydraz

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C(=O)NC(=S)NN
• IUPAC Name: N-(aminocarbamothioyl)-2,2-dimethylpropanamide
• InChIKey: SOKSVAKOWUDYET-UHFFFAOYSA-N
• INCHI: 1S/C6H13N3OS/c1-6(2,3)4(10)8-5(11)9-7/h7H2,1-3H3,(H2,8,9,10,11)
• Isómeros SMILES: CC(C)(C)C(=O)NC(=S)NN
• Peso molecular: 175.25
• Reaxy-Rn: 1939442
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1939442&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiosemicarbazides
• Alternative Parents: Carboxylic acids and derivatives Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiosemicarbazide - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiosemicarbazides. These are compounds containing a derivative of thiosemicarbazide with the general structure R1N(R2)N(R3)C(=S)N(R4)R5 (R1-R5=H, alkyl, aryl) where the ketone group has carbonyl group has been replaced with a thiocarbonyl 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

• Peso molecular: 175.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.078 Da
• Monoisotopic Mass: 175.078 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 173.000
• 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