Ethyl 5-oxo-2H,3H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate - ≥98% , CAS No.32084-53-0

CAS: 32084-53-0 Cat. No.: E183659 Peso molecular: 226.3

GRADE & PURITY ≥98%

Synonyms

Ethyl 5-oxo-2H,3H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | CCG-109850 | ethyl 5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | SDCCGMLS-0066241.P001 | Ethyl 5-oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazole-6-carboxylate | MFCD00085067

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl 5-oxo-2H, 3H-[1, 3]thiazolo[3, 2-a]pyrimidine-6-carboxylate | CCG-109850 | ethyl 5-oxo-2H, 3H, 5H-[1, 3]thiazolo[3, 2-a]pyrimidine-6-carboxylate | SDCCGMLS-0066241.P001 | Ethyl 5-oxo-2, 3-dihydro-5H-pyrimido[2, 1-b][1, 3]thiazole-6-carboxylate | MFCD00085067

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CN=C2N(C1=O)CCS2
• IUPAC Name: ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• InChIKey: HYGPOYRIGOMNSV-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O3S/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9/h5H,2-4H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CN=C2N(C1=O)CCS2
• Peso molecular: 226.3
• Reaxy-Rn: 535792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=535792&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Pyrimidones Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidine-5-carboxylic acid - Aryl thioether - Alkylarylthioether - Pyrimidone - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
• 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: 226.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 226.041 Da
• Monoisotopic Mass: 226.041 Da
• Topological Polar Surface Area: 84.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 376.000
• 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