4-Ethynylthiazole - ≥95% , CAS No.111600-89-6

CAS: 111600-89-6 Cat. No.: E586383 Formule: C₅H₃NS Poids moléculaire: 109.15 Numéro CE: 883-078-6

GRADE & PURITY ≥95%

Synonyms

4-ethynylthiazole | MFCD18207415 | SCHEMBL1725404 | DTXSID20623679 | SNNHMXYMKWHUBM-UHFFFAOYSA-N | Thiazole, 4-ethynyl- | THIAZOLE,4-ETHYNYL- | 4-ethynyl-1,3-thiazole | AKOS040822004 | Thiazole, 4-ethynyl- | EN300-787622

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

4-ethynylthiazole | MFCD18207415 | SCHEMBL1725404 | DTXSID20623679 | SNNHMXYMKWHUBM-UHFFFAOYSA-N | Thiazole, 4-ethynyl- | THIAZOLE,4-ETHYNYL- | 4-ethynyl-1,3-thiazole | AKOS040822004 | Thiazole, 4-ethynyl- | EN300-787622

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 508809333
• Sourires canoniques: C#CC1=CSC=N1
• IUPAC Name: 4-ethynyl-1,3-thiazole
• InChIKey: SNNHMXYMKWHUBM-UHFFFAOYSA-N
• INCHI: 1S/C5H3NS/c1-2-5-3-7-4-6-5/h1,3-4H
• Isomères SMILES: C#CC1=CSC=N1
• Poids moléculaire: 109.15
• Reaxy-Rn: 5493590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5493590&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 109.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.999 Da
• Monoisotopic Mass: 108.999 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 102.000
• 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