2-Ethyl-4-methylthiazole - ≥98% , CAS No.15679-12-6

CAS: 15679-12-6 Cat. No.: E124072 分子式: C₆H₉NS 分子量: 127.21 EC番号: 239-757-9

GRADE & PURITY ≥98%

Synonyms

Q27283206 | 2-Ethyl-4-methyl-1,3-thiazole | A809772 | Thiazole, 2-ethyl-4-methyl- | 2-ETHYL-4-METHYLTHIAZOLE | 2-ethyl-4-methyl-thiazole | E0456 | 4-Methyl-2-ethylthiazole | FT-0612252 | CHEBI:178615 | 2-Ethyl-4-methylthiazole, 98% | InChI=1/C6H9NS/c1-3-6

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Q27283206 | 2-Ethyl-4-methyl-1,3-thiazole | A809772 | Thiazole, 2-ethyl-4-methyl- | 2-ETHYL-4-METHYLTHIAZOLE | 2-ethyl-4-methyl-thiazole | E0456 | 4-Methyl-2-ethylthiazole | FT-0612252 | CHEBI:178615 | 2-Ethyl-4-methylthiazole, 98% | InChI=1/C6H9NS/c1-3-6

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488183043
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488183043
• カノニカル・スマイル: CCC1=NC(=CS1)C
• IUPAC Name: 2-ethyl-4-methyl-1,3-thiazole
• InChIKey: VGRVKVGGUPOCMT-UHFFFAOYSA-N
• INCHI: 1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
• 異性体SMILES: CCC1=NC(=CS1)C
• WGKドイツ: 3
• 分子量: 127.21
• Reaxy-Rn: 107101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107101&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: 2,4-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

化学的性質と物理的性質

• 屈折率: 1.505
• 引火点（°F）: 129.2 °F
• 引火点（°C）: 54°C(Lit.)
• 沸点（°C）: 67°C/10mmHg
• 分子量: 127.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.046 Da
• Monoisotopic Mass: 127.046 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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.

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 15679-12-6, the molecular formula is C6H9NS, and the molecular weight is 127.21 g/mol. InChIKey VGRVKVGGUPOCMT-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.