Ethyl thiazole-2-carboxylate - ≥95% , CAS No.14527-42-5

CAS: 14527-42-5 Cat. No.: E190966 Formula: C₆H₇NO₂S Molecular Weight: 157.19

GRADE & PURITY ≥95%

Synonyms

AB23232 | 2-Thiazolecarboxylicacid, ethyl ester | THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER | MFCD06204689 | SY006151 | 2-Thiazolecarboxylicacid,ethyl ester | DS-17199 | SCHEMBL837325 | FT-0697693 | ethyl 1,3-thiazole-2-carboxylate | Ethyl 2-thiazolecarboxyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AB23232 | 2-Thiazolecarboxylicacid, ethyl ester | THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER | MFCD06204689 | SY006151 | 2-Thiazolecarboxylicacid,ethyl ester | DS-17199 | SCHEMBL837325 | FT-0697693 | ethyl 1,3-thiazole-2-carboxylate | Ethyl 2-thiazolecarboxyl

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

Pubchem Sid

504767312

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767312

Canonical Smiles

CCOC(=O)C1=NC=CS1

IUPAC Name

ethyl 1,3-thiazole-2-carboxylate

InChIKey

MVMPKHJUPNWMDZ-UHFFFAOYSA-N

INCHI

1S/C6H7NO2S/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3

Isomeric SMILES

CCOC(=O)C1=NC=CS1

Molecular Weight

157.19

Reaxy-Rn

115686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115686&ln=

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 Carboxylic acid esters Azacyclic 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 - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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

• Boil Point(°C): 226.5°C at 760 mmHg
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14527-42-5, the molecular formula is C6H7NO2S, and the molecular weight is 157.19 g/mol. InChIKey MVMPKHJUPNWMDZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.