NSC 31152 - ≥99% , CAS No.24138-83-8

CAS: 24138-83-8 Cat. No.: N412278 Fórmula: C₁₀H₆ClNO₂S Peso molecular: 239.67

GRADE & PURITY ≥99%

Synonyms

5-(4-Chlorobenzylidene)-2,4-thiazolidinedione | 5-(4-Chloro-benzylidene)-thiazolidine-2,4-dione | 2,4-Thiazolidinedione, 5-[(4-chlorophenyl)methylene]-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

NSC 31152 is a bioactive compound.

Specifications

Sinónimos

5-(4-Chlorobenzylidene)-2,4-thiazolidinedione | 5-(4-Chloro-benzylidene)-thiazolidine-2,4-dione | 2,4-Thiazolidinedione, 5-[(4-chlorophenyl)methylene]-

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

NSC 31152 is a bioactive compound.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504758006

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758006

Sonrisas canónicas

C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)Cl

IUPAC Name

5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

InChIKey

OTTGINRZTJUWBT-UHFFFAOYSA-N

INCHI

1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)

Isómeros SMILES

C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)Cl

Peso molecular

239.67

Reaxy-Rn

171030

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=171030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Thiazolidines
        • Level5 Thiazolidinones
          • Level6 Thiazolidinediones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Thiazolidines
• Intermediate Tree Nodes: Thiazolidinones
• Direct Parent: Thiazolidinediones
• Alternative Parents: Chlorobenzenes Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Thiazolidinedione - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazolidinediones. These are heterocyclic compounds containing a thiazolidine ring which bears two ketone groups.
• 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: 239.680 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.981 Da
• Monoisotopic Mass: 238.981 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 321.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 24138-83-8, the molecular formula is C10H6ClNO2S, and the molecular weight is 239.67 g/mol. InChIKey OTTGINRZTJUWBT-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.