Ethyl 2-methylthiazole-5-carboxylate - ≥98% , CAS No.79836-78-5

CAS: 79836-78-5 Cat. No.: E590212 Formula: C₇H₉NO₂S Peso molecolare: 171.22 Numero EC: 688-402-8

QUALITÀ & PUREZZA ≥98%

Synonyms

2-Methylthiazole-5-carboxylic acid ethyl ester | A9932 | FT-0600175 | SCHEMBL286068 | DTXSID60510392 | MFCD03840442 | AKOS005259668 | AMY24776 | ORCQTMZHDQSNOJ-UHFFFAOYSA-N | ethyl 2-methyl-1,3-thiazole-5-carboxylate | ETHYL 2-METHYL-5-THIAZOLECARBOXYLATE

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifiche

Sinonimi

2-Methylthiazole-5-carboxylic acid ethyl ester | A9932 | FT-0600175 | SCHEMBL286068 | DTXSID60510392 | MFCD03840442 | AKOS005259668 | AMY24776 | ORCQTMZHDQSNOJ-UHFFFAOYSA-N | ethyl 2-methyl-1,3-thiazole-5-carboxylate | ETHYL 2-METHYL-5-THIAZOLECARBOXYLATE

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528757372

Sorrisi canonici

CCOC(=O)C1=CN=C(S1)C

IUPAC Name

ethyl 2-methyl-1,3-thiazole-5-carboxylate

InChIKey

ORCQTMZHDQSNOJ-UHFFFAOYSA-N

INCHI

1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3

Isomeri SMILES

CCOC(=O)C1=CN=C(S1)C

Peso molecolare

171.22

Reaxy-Rn

128507

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128507&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,5-disubstituted thiazoles 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 - 2,5-disubstituted 1,3-thiazole - 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 171.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.035 Da
• Monoisotopic Mass: 171.035 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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