3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanenitrile

Base Information

• Chemical Name: 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanenitrile
• CAS No.: 881-13-0
• Molecular Formula: C10H8N2OS
• DSSTox Substance ID: DTXSID80503620
• Mol file: 881-13-0.mol

Synonyms:881-13-0;3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanenitrile;3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanenitrile;3(2H)-Benzothiazolepropanenitrile, 2-oxo-;starbld0019067;DTXSID80503620;3-(oxo-benzothiazolyl)-propionitrile;AKOS002300727

Chemical Property of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanenitrile

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.03573406
• Heavy Atom Count: 14
• Complexity: 283

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CCC#N