4-Methyl-5-vinylthiazole - ≥99% , CAS No.1759-28-0

CAS: 1759-28-0 Cat. No.: M124074 Molecular Weight: 125.19 Beilstein Registry Number: 107867 EC Number: 217-160-4

GRADE & PURITY ≥99%

Synonyms

EN300-1662326 | Thiazole, 5-ethenyl-4-methyl- | Vinylsulfurol | 4-27-00-01015 (Beilstein Handbook Reference) | 4-Methyl-5-vinyl-1,3-thiazole # | AC-19940 | FEMA 3313 | DS-11310 | A3906 | 5-Vinyl-4-methylthiazole | MFCD00005337 | 1G77935P78 | 5-Ethenyl-4-m

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-Methyl-5-vinylthiazole is a nitrogen and sulphur-containing heterocyclic compound, present in the species of Annona (magnoliids, Annonaceae) and Caladium bicolor (monocots, Araceae). It is extremely attractive to both male and female beetles of three species of the genus Cyclocephala.

Specifications

Synonyms

EN300-1662326 | Thiazole, 5-ethenyl-4-methyl- | Vinylsulfurol | 4-27-00-01015 (Beilstein Handbook Reference) | 4-Methyl-5-vinyl-1, 3-thiazole # | AC-19940 | FEMA 3313 | DS-11310 | A3906 | 5-Vinyl-4-methylthiazole | MFCD00005337 | 1G77935P78 | 5-Ethenyl-4-m

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504752691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752691
• Canonical Smiles: CC1=C(SC=N1)C=C
• IUPAC Name: 5-ethenyl-4-methyl-1,3-thiazole
• InChIKey: QUAMMXIRDIIGDJ-UHFFFAOYSA-N
• INCHI: 1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3
• Isomeric SMILES: CC1=C(SC=N1)C=C
• WGK Germany: 3
• RTECS: XJ5104000
• Molecular Weight: 125.19
• Beilstein: 107867
• Reaxy-Rn: 107867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107867&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: 4,5-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 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: Air Sensitive
• Refractive Index: 1.568
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 70°C(Lit.)
• Boil Point(°C): 66°C/10mmHg
• Melt Point(°C): -15°C
• Molecular Weight: 125.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.03 Da
• Monoisotopic Mass: 125.03 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 92.500
• 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

References

1. Yongzhuo Yu, Wei Li, Huixing Yang, Qiuming Wei, Linlin Hou, Zhiliang Wu, Yangyang Jiang, Chaoyu Lv, Yuxin Huang, Jiyu Tang.  (2023)  4-Methyl-5-vinyl thiazole modified Ni-MOF/g-C3N4/CdS composites for efficient photocatalytic hydrogen evolution without precious metal cocatalysts.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37542897] [10.1016/j.jcis.2023.07.210]

2. Shi Mo, Hong Qun Luo, Nian Bing Li.  (2017)  Study on the influences of two thiazole flavor ingredients on Cu corrosion caused by chloride ion.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:28675872] [10.1016/j.jcis.2017.06.075]