4-Thiazoleacetonitrile,-alpha--hydroxy-2-methyl-

Base Information

• Chemical Name: 4-Thiazoleacetonitrile,-alpha--hydroxy-2-methyl-
• CAS No.: 113732-63-1
• Molecular Formula: C6H6 N2 O S
• Molecular Weight: 154.19
• DSSTox Substance ID: DTXSID001271024
• Mol file: 113732-63-1.mol

Synonyms:113732-63-1;4-Thiazoleacetonitrile, -alpha--hydroxy-2-methyl-;2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile;DTXSID001271024;alpha-Hydroxy-2-methyl-4-thiazoleacetonitrile

Chemical Property of 4-Thiazoleacetonitrile,-alpha--hydroxy-2-methyl-

Chemical Property:

• Melting Point: 116-117 °C
• Boiling Point: 330.6±27.0 °C(Predicted)
• PKA: 9.37±0.20(Predicted)
• PSA: 85.15000
• Density: 1.366±0.06 g/cm3(Predicted)
• LogP: 1.00848
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.02008399
• Heavy Atom Count: 10
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C(C#N)O