Ácido tiazol-2-carboxílico - ≥95% , CAS No.14190-59-1

CAS: 14190-59-1 Cat. No.: T131973 Peso molecular: 129.14 Número EC: 689-309-5 PubChem CID: 2762733

GRADE & PURITY ≥95%

Synonyms

MFCD02094169 | thiazole-2-carboxylicacid | 2-THIAZOLECARBOXYLIC ACID | EN300-91129 | STL558252 | BCP23473 | thiazolecarboxylic acid | PS-3881 | AM20080317 | IJVLVRYLIMQVDD-UHFFFAOYSA-N | Thiazole-2-carboxylic acid | A19599 | FT-0602281 | BBL104235 | STR04

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

MFCD02094169 | thiazole-2-carboxylicacid | 2-THIAZOLECARBOXYLIC ACID | EN300-91129 | STL558252 | BCP23473 | thiazolecarboxylic acid | PS-3881 | AM20080317 | IJVLVRYLIMQVDD-UHFFFAOYSA-N | Thiazole-2-carboxylic acid | A19599 | FT-0602281 | BBL104235 | STR04

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761682
• Sonrisas canónicas: C1=CSC(=N1)C(=O)O
• IUPAC Name: 1,3-thiazole-2-carboxylic acid
• InChIKey: IJVLVRYLIMQVDD-UHFFFAOYSA-N
• INCHI: 1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)
• Isómeros SMILES: C1=CSC(=N1)C(=O)O
• PubChem CID: 2762733
• Peso molecular: 129.14

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 Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - 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

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Punto de fusión (°C): 102 °C
• Peso molecular: 129.139 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 128.988 Da
• Monoisotopic Mass: 128.988 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• 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