Acetone Thiosemicarbazone(ATSC) - ≥97% , CAS No.1752-30-3

CAS: 1752-30-3 Cat. No.: A151291 Fórmula: C₄H₉N₃S Peso molecular: 131.2 Número EC: 217-137-9

GRADE & PURITY ≥97%

Synonyms

Hydrazinecarbothioamide, 2-(1-methylethylidene)- | Thiosemicarbazone acetone | DTXCID4024480 | 2-(propan-2-ylidene)hydrazinecarbothioamide | Acetonthiosemikarbazon | SCHEMBL19063125 | Z57128338 | AB01329842-02 | PD179083 | Acetone thiosemicarbazone | AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Hydrazinecarbothioamide, 2-(1-methylethylidene)- | Thiosemicarbazone acetone | DTXCID4024480 | 2-(propan-2-ylidene)hydrazinecarbothioamide | Acetonthiosemikarbazon | SCHEMBL19063125 | Z57128338 | AB01329842-02 | PD179083 | Acetone thiosemicarbazone | AKOS

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488193426

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193426

Sonrisas canónicas

CC(=NNC(=S)N)C

IUPAC Name

(propan-2-ylideneamino)thiourea

InChIKey

FQUDPIIGGVBZEQ-UHFFFAOYSA-N

INCHI

1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)

Isómeros SMILES

CC(=NNC(=S)N)C

RTECS

AL7350000

Número ONU

2811

Grupo de embalaje

I

Peso molecular

131.2

Reaxy-Rn

970126

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970126&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Hydrazines and derivatives
        • Level5 Thiosemicarbazides
          • Level6 Thiosemicarbazones

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Thiosemicarbazides
• Direct Parent: Thiosemicarbazones
• Alternative Parents: Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiosemicarbazone - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiosemicarbazones. These are compounds containing the thiosemicarbazone functional group obtained by replacing the carbonyl group by 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Acetone
• Punto de fusión (°C): 175 °C
• Peso molecular: 131.200 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 131.052 Da
• Monoisotopic Mass: 131.052 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 114.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1752-30-3, the molecular formula is C4H9N3S, and the molecular weight is 131.2 g/mol. InChIKey FQUDPIIGGVBZEQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.