Thiazole-2-carboxylic acid - ≥95% , CAS No.14190-59-1

CAS: 14190-59-1 Cat. No.: T131973 Molecular Weight: 129.14 EC Number: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504761682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761682
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CSC(=N1)C(=O)O
• PubChem CID: 2762733
• Molecular Weight: 129.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 102 °C
• Molecular Weight: 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