Methyl 4-methylthiazole-2-carboxylate - ≥97% , CAS No.14542-15-5

CAS: 14542-15-5 Cat. No.: M587284 Molecular Weight: 157.19 EC Number: 802-911-6

GRADE & PURITY ≥97%

Synonyms

AB44701 | DS-1806 | MFCD08275081 | SCHEMBL129265 | FS-3466 | METHYL 4-METHYL-2-THIAZOLECARBOXYLATE | Methyl 4-methyl-1,3-thiazole-2-carboxylate | AC-7672 | methyl 4-methyl-2-thiazole carboxylate | SY022687 | 2-Thiazolecarboxylic acid, 4-methyl-, methyl es

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

AB44701 | DS-1806 | MFCD08275081 | SCHEMBL129265 | FS-3466 | METHYL 4-METHYL-2-THIAZOLECARBOXYLATE | Methyl 4-methyl-1, 3-thiazole-2-carboxylate | AC-7672 | methyl 4-methyl-2-thiazole carboxylate | SY022687 | 2-Thiazolecarboxylic acid, 4-methyl-, methyl es

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766416
• Canonical Smiles: CC1=CSC(=N1)C(=O)OC
• IUPAC Name: methyl 4-methyl-1,3-thiazole-2-carboxylate
• InChIKey: QYBUZTKTDPPXJR-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO2S/c1-4-3-10-5(7-4)6(8)9-2/h3H,1-2H3
• Isomeric SMILES: CC1=CSC(=N1)C(=O)OC
• WGK Germany: 3
• Molecular Weight: 157.19
• Reaxy-Rn: 115643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115643&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: 2,4-disubstituted thiazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Methyl ester - 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

• Sensitivity: light ＆ moisture sensitive
• Molecular Weight: 157.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• 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: 140.000
• 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