Ethyl 2-chlorothiazole-4-acetate - ≥96% , CAS No.464185-24-8

CAS: 464185-24-8 Cat. No.: E184644 Fórmula: C₇H₈ClNO₂S Peso molecular: 205.7

GRADE & PURITY ≥96%

Synonyms

ethyl 2-(2-chloro-1,3-thiazol-4-yl)acetate | J-520739 | DTXSID00653277 | Ethyl 2-(2-chlorothiazol-4-yl)acetate | s11625 | Ethyl (2-chloro-1,3-thiazol-4-yl)acetate | 4-thiazoleacetic acid,2-chloro-,ethyl ester | Ethyl2-(2-chlorothiazol-4-yl)acetate | FT-06

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ethyl 2-(2-chloro-1,3-thiazol-4-yl)acetate | J-520739 | DTXSID00653277 | Ethyl 2-(2-chlorothiazol-4-yl)acetate | s11625 | Ethyl (2-chloro-1,3-thiazol-4-yl)acetate | 4-thiazoleacetic acid,2-chloro-,ethyl ester | Ethyl2-(2-chlorothiazol-4-yl)acetate | FT-06

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

• Sorrisos canónicos: CCOC(=O)CC1=CSC(=N1)Cl
• IUPAC Name: ethyl 2-(2-chloro-1,3-thiazol-4-yl)acetate
• InChIKey: GNTXHMCYDPZYQU-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClNO2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3
• SMILES isoméricas: CCOC(=O)CC1=CSC(=N1)Cl
• Peso molecular: 205.7
• Reaxy-Rn: 14207878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14207878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Propriedades químicas e físicas

• Peso molecular: 205.660 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 204.996 Da
• Monoisotopic Mass: 204.996 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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