(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)acetonitrile

Base Information

• Chemical Name: (2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)acetonitrile
• CAS No.: 78742-16-2
• Molecular Formula: C15H12N2S
• Molecular Weight: 252.34
• DSSTox Substance ID: DTXSID80522775

Synonyms:78742-16-2;(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)acetonitrile;DTXSID80522775

Chemical Property of (2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)acetonitrile

Chemical Property:

• PSA: 61.12000
• LogP: 4.10888
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.07211956
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(NC3=CC=CC=C3S2)CC#N

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