4,5-Dimethylthiazole-2-carbaldehyde - ≥98% , CAS No.74531-15-0

CAS: 74531-15-0 Cat. No.: D194862 Molecular Weight: 141.19 EC Number: 804-226-8

GRADE & PURITY ≥98%

Synonyms

4,5-Dimethylthiazole-2-carboxaldehyde, 97% | 2-Thiazolecarboxaldehyde, 4,5-dimethyl- (6CI, 9CI) | AKOS012225280 | 2-Thiazolecarboxaldehyde, 4,5-dimethyl- | MFCD11044203 | AMY26842 | 4,5-Dimethylthiazole-2-carbaldehyde | EN300-187648 | DS-15602 | 4,5-Dimet

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4, 5-Dimethylthiazole-2-carboxaldehyde, 97% | 2-Thiazolecarboxaldehyde, 4, 5-dimethyl- (6CI, 9CI) | AKOS012225280 | 2-Thiazolecarboxaldehyde, 4, 5-dimethyl- | MFCD11044203 | AMY26842 | 4, 5-Dimethylthiazole-2-carbaldehyde | EN300-187648 | DS-15602 | 4, 5-Dimet

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767681
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767681
• Canonical Smiles: CC1=C(SC(=N1)C=O)C
• IUPAC Name: 4,5-dimethyl-1,3-thiazole-2-carbaldehyde
• InChIKey: RRBIYJOEJILQJE-UHFFFAOYSA-N
• INCHI: 1S/C6H7NOS/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3
• Isomeric SMILES: CC1=C(SC(=N1)C=O)C
• WGK Germany: 3
• Molecular Weight: 141.19
• Reaxy-Rn: 109596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109596&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Flash Point(°F): 224.6 °F
• Flash Point(°C): 107 °C
• Melt Point(°C): 33-39 °C
• Molecular Weight: 141.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.025 Da
• Monoisotopic Mass: 141.025 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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