1-Acetyl-3-thiosemicarbazide - ≥95% , CAS No.2302-88-7

CAS: 2302-88-7 Cat. No.: A339685 Peso molecular: 133.17 Número EC: 218-956-4

GRADE & PURITY ≥95%

Synonyms

1-Acetylthiosemicarbazide | acetamidothiourea | NSIMQTOXNOFWBP-UHFFFAOYSA- | C3H7N3OS | NSC 202518 | NSC202518 | NSC-202518 | AB01319949-02 | SCHEMBL764265 | AKOS008967348 | SB85978 | 1-Acetyl-3-thiosemicarbazide, 95% | MFCD00004932 | Acetylthiosemicarbaz

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

1-Acetylthiosemicarbazide | acetamidothiourea | NSIMQTOXNOFWBP-UHFFFAOYSA- | C3H7N3OS | NSC 202518 | NSC202518 | NSC-202518 | AB01319949-02 | SCHEMBL764265 | AKOS008967348 | SB85978 | 1-Acetyl-3-thiosemicarbazide, 95% | MFCD00004932 | Acetylthiosemicarbaz

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NNC(=S)N
• IUPAC Name: acetamidothiourea
• InChIKey: NSIMQTOXNOFWBP-UHFFFAOYSA-N
• INCHI: 1S/C3H7N3OS/c1-2(7)5-6-3(4)8/h1H3,(H,5,7)(H3,4,6,8)
• Isómeros SMILES: CC(=O)NNC(=S)N
• Número ONU: 2811
• Grupo de embalaje: III
• Peso molecular: 133.17
• Reaxy-Rn: 1099280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099280&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: Acetamides Carboxylic acid hydrazides Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen 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

• Solubilidad: Soluble in water (partly).
• Sensibilidad: Light sensitive
• Índice de refracción: n20D1.59 (Predicted)
• Punto de ebullición (°C): 323.75° C (Predicted)
• Punto de fusión (°C): 165-168° C
• Peso molecular: 133.180 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.031 Da
• Monoisotopic Mass: 133.031 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 113.000
• 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