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

CAS: 15679-12-6 Cat. No.: E124072 Fórmula: C₆H₉NS Peso molecular: 127.21 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183043
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183043
• Sonrisas canónicas: 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
• Isómeros SMILES: CCC1=NC(=CS1)C
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.505
• Punto de inflamación (°F): 129.2 °F
• Punto de inflamación (°C): 54°C(Lit.)
• Punto de ebullición (°C): 67°C/10mmHg
• Peso molecular: 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

Preguntas frecuentes

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.