Ethyl 2-bromothiazole-5-carboxylate - ≥98% , CAS No.41731-83-3

CAS: 41731-83-3 Cat. No.: E119080 分子式: C₆H₆BrNO₂S 分子量: 236.09 EC番号: 627-432-8

GRADE & PURITY ≥98%

Synonyms

PB30639 | 2-bromo-5-thiazolecarboxylic acid ethyl ester | EN300-52388 | DTXSID50394264 | SY006696 | 2-bromo-1,3-thiazole-5-carboxylic ethyl ester | FT-0600585 | A6868 | AM20100104 | 2-bromo-1,3-thiazole-5-carboxylic acid ethyl ester | AKOS005146124 | 2-Br

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Product Application：

Ethyl 2-bromothiazole-5-carboxylate is used in medicine, pharmaceutical intermediate

Specifications

同義語

PB30639 | 2-bromo-5-thiazolecarboxylic acid ethyl ester | EN300-52388 | DTXSID50394264 | SY006696 | 2-bromo-1,3-thiazole-5-carboxylic ethyl ester | FT-0600585 | A6868 | AM20100104 | 2-bromo-1,3-thiazole-5-carboxylic acid ethyl ester | AKOS005146124 | 2-Br

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504762635
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504762635
• カノニカル・スマイル: CCOC(=O)C1=CN=C(S1)Br
• IUPAC Name: ethyl 2-bromo-1,3-thiazole-5-carboxylate
• InChIKey: KTYIFXLNIMPSKI-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
• 異性体SMILES: CCOC(=O)C1=CN=C(S1)Br
• WGKドイツ: 3
• 分子量: 236.09
• Reaxy-Rn: 138038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=138038&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,5-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: 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

関連ターゲット（非人間）

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Discover Target: ddlB

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Discover Target: murA

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible is water.
• 感度: Air Sensitive
• 屈折率: 1.55
• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 68 °C/11 mmHg
• 分子量: 236.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.93 Da
• Monoisotopic Mass: 234.93 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 41731-83-3, the molecular formula is C6H6BrNO2S, and the molecular weight is 236.09 g/mol. InChIKey KTYIFXLNIMPSKI-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.