2-tert-Butyl-6-isothiocyanato-5-(piperidin-1-yl)benzthiazole

Base Information

• Chemical Name: 2-tert-Butyl-6-isothiocyanato-5-(piperidin-1-yl)benzthiazole
• CAS No.: 104065-98-7
• Molecular Formula: C17H21 N3 S2
• Molecular Weight: 331.4987
• DSSTox Substance ID: DTXSID60146236

Synonyms:2-tert-butyl-6-isothiocyanato-5-(piperidin-1-yl)benzthiazole;CGI 16343;CGI-16343

Chemical Property of 2-tert-Butyl-6-isothiocyanato-5-(piperidin-1-yl)benzthiazole

Chemical Property:

• Vapor Pressure: 1.89E-09mmHg at 25°C
• Boiling Point: 482.1°Cat760mmHg
• Flash Point: 245.3°C
• Density: 1.24g/cm³
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 331.11769003
• Heavy Atom Count: 22
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NC2=CC(=C(C=C2S1)N=C=S)N3CCCCC3

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