Ethyl 4-aminothiazole-5-carboxylate - ≥95% , CAS No.152300-59-9

CAS: 152300-59-9 Cat. No.: E587380 Peso molecular: 172.2 Número EC: 878-711-8

GRADE & PURITY ≥95%

Synonyms

FJFZZDZSPYBKBD-UHFFFAOYSA-N | ETHYL 4-AMINO-1,3-THIAZOLE-5-CARBOXYLATE | EN300-233941 | SY009596 | A884032 | AMY27015 | SCHEMBL2700326 | CGA30059 | DTXSID10597416 | MFCD06798219 | DS-17453 | Ethyl4-aminothiazole-5-carboxylate | FT-0702759 | 4-Aminothiazol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FJFZZDZSPYBKBD-UHFFFAOYSA-N | ETHYL 4-AMINO-1, 3-THIAZOLE-5-CARBOXYLATE | EN300-233941 | SY009596 | A884032 | AMY27015 | SCHEMBL2700326 | CGA30059 | DTXSID10597416 | MFCD06798219 | DS-17453 | Ethyl4-aminothiazole-5-carboxylate | FT-0702759 | 4-Aminothiazol

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(N=CS1)N
• IUPAC Name: ethyl 4-amino-1,3-thiazole-5-carboxylate
• InChIKey: FJFZZDZSPYBKBD-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2S/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2,7H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(N=CS1)N
• CAS alternativo: 152300-59-9
• Peso molecular: 172.2
• Reaxy-Rn: 18458271
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18458271&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: 4,5-disubstituted thiazoles Imidolactams Aminothiazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 4,5-disubstituted 1,3-thiazole - 1,3-thiazolamine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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: 172.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 172.031 Da
• Monoisotopic Mass: 172.031 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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