GRADE & PURITY ≥95%

Synonyms

5-Thiazolecarboxylic acid, ethyl ester | ethyl 1,3-thiazole-5-carboxylate | SCHEMBL290564 | BB 0296189 | thiazole-5-carboxylic acid ethyl ester | 5-(Carbethoxy)thiazole | FT-0649733 | 5-(Ethoxycarbonyl)thiazole | Ethyl 5-thiazolecarboxylate | J-521285 | A

Shipped In

Normal

Specifications

Sinónimos

5-Thiazolecarboxylic acid, ethyl ester | ethyl 1, 3-thiazole-5-carboxylate | SCHEMBL290564 | BB 0296189 | thiazole-5-carboxylic acid ethyl ester | 5-(Carbethoxy)thiazole | FT-0649733 | 5-(Ethoxycarbonyl)thiazole | Ethyl 5-thiazolecarboxylate | J-521285 | A

Especificaciones y pureza

≥95%

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488189897
• Sonrisas canónicas: CCOC(=O)C1=CN=CS1
• IUPAC Name: ethyl 1,3-thiazole-5-carboxylate
• InChIKey: CIPMPQGRFNDLAP-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO2S/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CN=CS1
• Peso molecular: 157.2
• Reaxy-Rn: 115998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115998&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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: 157.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 157.02 Da
• Monoisotopic Mass: 157.02 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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