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

CAS: 541-58-2 Cat. No.: D119299 分子式: C₅H₇NS 分子量: 113.18 Beilstein Registry Number: 106414 EC番号: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

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

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

508807711

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508807711

カノニカル・スマイル

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

異性体SMILES

CC1=CSC(=N1)C

WGKドイツ

3

RTECS

XJ4375000

UN番号

1993

包装グループ

III

分子量

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
    • 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

• 溶解度: Slightly soluble in water
• 感度: Moisture Sensitive
• 屈折率: 1.509
• 引火点（°C）: 43°C(lit.)
• 沸点（°C）: 145-147°C
• 分子量: 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