2-Ethyl-4,5-dimethylthiazole - ≥98% , CAS No.873-64-3

CAS: 873-64-3 Cat. No.: E156187 分子式: C₇H₁₁NS 分子量: 141.23 EC番号: 639-201-9

GRADE & PURITY ≥98%

Synonyms

34N4WYF56I | 2-Ethyl-4,5-dimethylthiazole, 97% | 4,5-Dimethyl-2-ethylthiazole | 4,5-Dimethyl-2-ethyl thiazole | 2-Ethyl-4,5-dimethyl-1,3-thiazole | Thiazole, 2-ethyl-4,5-dimethyl- | BVOKJOZBJOWZNJ-UHFFFAOYSA-N | FT-0657755 | AS-59452 | DTXSID90335095 | E0

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

34N4WYF56I | 2-Ethyl-4,5-dimethylthiazole, 97% | 4,5-Dimethyl-2-ethylthiazole | 4,5-Dimethyl-2-ethyl thiazole | 2-Ethyl-4,5-dimethyl-1,3-thiazole | Thiazole, 2-ethyl-4,5-dimethyl- | BVOKJOZBJOWZNJ-UHFFFAOYSA-N | FT-0657755 | AS-59452 | DTXSID90335095 | E0

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

カノニカル・スマイル

CCC1=NC(=C(S1)C)C

IUPAC Name

2-ethyl-4,5-dimethyl-1,3-thiazole

InChIKey

BVOKJOZBJOWZNJ-UHFFFAOYSA-N

INCHI

1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3

異性体SMILES

CCC1=NC(=C(S1)C)C

WGKドイツ

3

分子量

141.23

Reaxy-Rn

1071904

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071904&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: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 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 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• 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: 1.5
• 引火点（°F）: 163.4 °F
• 引火点（°C）: 74°C(lit.)
• 沸点（°C）: 185°C(lit.)
• 分子量: 141.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.061 Da
• Monoisotopic Mass: 141.061 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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