5-Ethynyl-1,3-thiazole

Base Information

• Chemical Name: 5-Ethynyl-1,3-thiazole
• CAS No.: 872122-41-3
• Molecular Formula: C5H3 N S
• Molecular Weight: 109.15
• European Community (EC) Number: 821-006-7
• ChEMBL ID: CHEMBL4558161
• DSSTox Substance ID: DTXSID20591425
• Mol file: 872122-41-3.mol

Synonyms:5-ethynyl-1,3-thiazole;872122-41-3;Thiazole, 5-ethynyl-;5-Ethynylthiazole;Thiazole, 5-ethynyl-;CHEMBL4558161;SCHEMBL16630479;DTXSID20591425;DB-100329;CS-0528673;EN300-204829;G74061

Chemical Property of 5-Ethynyl-1,3-thiazole

Chemical Property:

• Boiling Point: 179.7±13.0 °C(Predicted)
• PKA: 1.35±0.10(Predicted)
• PSA: 41.13000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.12440
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.99862027
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

5-ethynyl-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CN=CS1

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