2-((7-Bromobenzo[c ][1,2,5]thiadiazol-4-yl)methylene)malononitrile - ≥98%(HPLC) , CAS No.1335150-10-1

CAS: 1335150-10-1 Cat. No.: B290474 Peso molecular: 291.13 Número EC: 802-801-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

ZNWYPDKJWGLSQU-UHFFFAOYSA-N | 2-((7-Bromobenzo[c][1,2,5]thiadiazol-4-yl)methylene)malononitrile | 2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]propanedinitrile | 1335150-10-1 | AMY27176 | 2-[(7-Bromo-2,1,3-benzothiadiazol-4-yl)methylene]malononitril

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

ZNWYPDKJWGLSQU-UHFFFAOYSA-N | 2-((7-Bromobenzo[c][1, 2, 5]thiadiazol-4-yl)methylene)malononitrile | 2-[(4-bromo-2, 1, 3-benzothiadiazol-7-yl)methylidene]propanedinitrile | 1335150-10-1 | AMY27176 | 2-[(7-Bromo-2, 1, 3-benzothiadiazol-4-yl)methylene]malononitril

Especificaciones y pureza

≥98%(HPLC)

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

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504772537
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772537
• Sonrisas canónicas: C1=C(C2=NSN=C2C(=C1)Br)C=C(C#N)C#N
• IUPAC Name: 2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]propanedinitrile
• InChIKey: ZNWYPDKJWGLSQU-UHFFFAOYSA-N
• INCHI: 1S/C10H3BrN4S/c11-8-2-1-7(3-6(4-12)5-13)9-10(8)15-16-14-9/h1-3H
• Isómeros SMILES: C1=C(C2=NSN=C2C(=C1)Br)C=C(C#N)C#N
• Peso molecular: 291.13
• Reaxy-Rn: 21934927
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21934927&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiadiazoles
• Alternative Parents: Benzenoids Aryl bromides Thiadiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,1,3-benzothiadiazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Azacycle - Carbonitrile - Nitrile - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
• 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

• Sensibilidad: Heat sensitive
• Punto de fusión (°C): 189 °C
• Peso molecular: 291.130 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 289.926 Da
• Monoisotopic Mass: 289.926 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 386.000
• 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