2,4-Dimethylthiazole - ≥99% , CAS No.541-58-2

CAS: 541-58-2 Cat. No.: D119299 Summenformel: C₅H₇NS Molekulargewicht: 113.18 Beilstein Registry Number: 106414 EG-Nummer: 208-786-9

GRADE & PURITY ≥99%

Synonyms

2.4-dimethylthiazole | CHEBI:193946 | NSC 7510 | FT-0610190 | Q-100612 | 2,4-Methylthiazole | BP-10584 | 2,4-Dimethylthiazole, >=95%, FG | WLN: T5N CSJ B1 E1 | 2, 4-Dimethylthiazole | 4-27-00-00981 (Beilstein Handbook Reference) | A830001 | dimethylthiazo

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2.4-dimethylthiazole | CHEBI:193946 | NSC 7510 | FT-0610190 | Q-100612 | 2,4-Methylthiazole | BP-10584 | 2,4-Dimethylthiazole, >=95%, FG | WLN: T5N CSJ B1 E1 | 2, 4-Dimethylthiazole | 4-27-00-00981 (Beilstein Handbook Reference) | A830001 | dimethylthiazo

Spezifikationen & Reinheit

≥99%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 508807711
• Kanonisches Lächeln: CC1=CSC(=N1)C
• IUPAC Name: 2,4-dimethyl-1,3-thiazole
• InChIKey: OBSLLHNATPQFMJ-UHFFFAOYSA-N
• INCHI: 1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
• Isomere SMILES: CC1=CSC(=N1)C
• WGK Deutschland: 3
• RTECS: XJ4375000
• UN-Nummer: 1993
• Verpackungsgruppe: III
• Molekulargewicht: 113.18
• Beilstein: 106414
• Reaxy-Rn: 106414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106414&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water
• Empfindlichkeit: Moisture Sensitive
• Brechungsindex: 1.509
• Flammpunkt (°C): 43°C(lit.)
• Siedepunkt (°C): 145-147°C
• Molekulargewicht: 113.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.03 Da
• Monoisotopic Mass: 113.03 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 65.099
• 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

Referenzen

1. Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36696632] [10.1021/acs.jafc.2c08360]

2. Lu Han, Ye Feng Wang, Jing Hui Zeng.  (2014)  Effective Solid Electrolyte Based on Benzothiazolium for Dye-Sensitized Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:25469936] [10.1021/am5053762]

3. Qi Zhou, Xiao Jia, Ying-Zheng Yao, Bei Wang, Chang-Qing Wei, Min Zhang, Fenghong Huang.  (2019)  Characterization of the Aroma-Active Compounds in Commercial Fragrant Rapeseed Oils via Monolithic Material Sorptive Extraction.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31529950] [10.1021/acs.jafc.9b05691]