Sodium 2-methyl-4,5-dihydrothiazole-4-carboxylate - ≥97% , CAS No.15058-19-2

CAS: 15058-19-2 Cat. No.: S587354 Molecular Weight: 167.16 EC Number: 641-546-5 PubChem CID: 23710676

GRADE & PURITY ≥97%

Synonyms

sodium 2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate | AKOS015909318 | Sodium2-methyl-4,5-dihydrothiazole-4-carboxylate | D97542 | FT-0612929 | AKOS006276366 | 2-Methyl-2-thiazoline-4-carboxylic acid sodium salt | EN300-120138 | Sodium 2-methyl-4,5-dihy

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

sodium 2-methyl-4, 5-dihydro-1, 3-thiazole-4-carboxylate | AKOS015909318 | Sodium2-methyl-4, 5-dihydrothiazole-4-carboxylate | D97542 | FT-0612929 | AKOS006276366 | 2-Methyl-2-thiazoline-4-carboxylic acid sodium salt | EN300-120138 | Sodium 2-methyl-4, 5-dihy

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=NC(CS1)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
• InChIKey: KDIYEJLRFZLXKU-UHFFFAOYSA-M
• INCHI: 1S/C5H7NO2S.Na/c1-3-6-4(2-9-3)5(7)8;/h4H,2H2,1H3,(H,7,8);/q;+1/p-1
• Isomeric SMILES: CC1=NC(CS1)C(=O)[O-].[Na+]
• PubChem CID: 23710676
• Molecular Weight: 167.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thiazolines Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Meta-thiazoline - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Carbonyl group - Organic zwitterion - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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: Moisture sensitive, Light sensitive
• Molecular Weight: 167.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.002 Da
• Monoisotopic Mass: 167.002 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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