ethyl 2-fluorothiazole-4-carboxylate - ≥97% , CAS No.153027-86-2

CAS: 153027-86-2 Cat. No.: E629596 분자식: C₆H₆NO₂FS 분자량: 175.18 EC 번호: 184-081-9 PubChem CID: 20086723

GRADE & PURITY ≥97%

Synonyms

AC2296 | AKOS016008041 | Ethyl2-Fluorothiazole-4-carboxylate | DTXSID50602275 | ethyl 2-fluoro-1,3-thiazole-4-carboxylate | SY023346 | DS-18028 | EN300-7063245 | Ethyl 2-fluorothiazole-4-carboxylate | MFCD18416559 | SCHEMBL9268196

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AC2296 | AKOS016008041 | Ethyl2-Fluorothiazole-4-carboxylate | DTXSID50602275 | ethyl 2-fluoro-1,3-thiazole-4-carboxylate | SY023346 | DS-18028 | EN300-7063245 | Ethyl 2-fluorothiazole-4-carboxylate | MFCD18416559 | SCHEMBL9268196

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

정식 스마일

CCOC(=O)C1=CSC(=N1)F

IUPAC Name

ethyl 2-fluoro-1,3-thiazole-4-carboxylate

InChIKey

FHEBHTRZQXAHFV-UHFFFAOYSA-N

INCHI

1S/C6H6FNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

이성체 SMILES

CCOC(=O)C1=CSC(=N1)F

대체 CAS

153027-86-2

PubChem CID

20086723

분자량

175.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,4-disubstituted thiazoles Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 175.180 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 175.01 Da
• Monoisotopic Mass: 175.01 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 153027-86-2, the molecular formula is C6H6NO2FS, and the molecular weight is 175.18 g/mol. InChIKey FHEBHTRZQXAHFV-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.