5-Isocyanato-4-methyl-2-phenyl-1,3-thiazole

Base Information

• Chemical Name: 5-Isocyanato-4-methyl-2-phenyl-1,3-thiazole
• CAS No.: 852180-46-2
• Molecular Formula: C11H8 N2 O S
• Molecular Weight: 216.26
• DSSTox Substance ID: DTXSID90406895
• Mol file: 852180-46-2.mol

Synonyms:5-isocyanato-4-methyl-2-phenyl-1,3-thiazole;852180-46-2;Thiazole,5-isocyanato-4-methyl-2-phenyl-;5-isocyanato-4-methyl-2-phenylthiazole;SCHEMBL3056192;DTXSID90406895;FWBAVPZUNSTTRF-UHFFFAOYSA-N;MFCD07368510;J-517648

Chemical Property of 5-Isocyanato-4-methyl-2-phenyl-1,3-thiazole

Chemical Property:

• Vapor Pressure: 3.6E-05mmHg at 25°C
• Melting Point: 82 °C
• Refractive Index: 1.645
• Boiling Point: 353.4°C at 760 mmHg
• Flash Point: 167.5°C
• PSA: 70.56000
• Density: 1.25g/cm³
• LogP: 3.08580
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.03573406
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

5-Isocyanato-4-methyl-2-phenylthiazole 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)N=C=O

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