Acetone Benzothiazolyl-2-hydrazone - ≥97% , CAS No.6277-26-5

CAS: 6277-26-5 Cat. No.: A151207 Peso molecular: 205.28

GRADE & PURITY ≥97%

Synonyms

A833986 | DTXSID20970837 | SR-01000212636 | FT-0621801 | 2-(2-(propan-2-ylidene)hydrazinyl)benzo[d]thiazole | 2-[2-(propan-2-ylidene)hydrazin-1-yl]-1,3-benzothiazole | 2-propanone,2-(2-benzothiazolyl)hydrazone | SR-01000212636-1 | SCHEMBL13209095 | MFCD00

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A833986 | DTXSID20970837 | SR-01000212636 | FT-0621801 | 2-(2-(propan-2-ylidene)hydrazinyl)benzo[d]thiazole | 2-[2-(propan-2-ylidene)hydrazin-1-yl]-1, 3-benzothiazole | 2-propanone, 2-(2-benzothiazolyl)hydrazone | SR-01000212636-1 | SCHEMBL13209095 | MFCD00

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188858
• Sonrisas canónicas: CC(=NNC1=NC2=CC=CC=C2S1)C
• IUPAC Name: N-(propan-2-ylideneamino)-1,3-benzothiazol-2-amine
• InChIKey: TZHQLYDPJQZYNF-UHFFFAOYSA-N
• INCHI: 1S/C10H11N3S/c1-7(2)12-13-10-11-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3,(H,11,13)
• Isómeros SMILES: CC(=NNC1=NC2=CC=CC=C2S1)C
• Peso molecular: 205.28
• Reaxy-Rn: 6394733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6394733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

• Punto de fusión (°C): 198 °C
• Peso molecular: 205.280 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.067 Da
• Monoisotopic Mass: 205.067 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 225.000
• 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