2-Oxo-2-[4-(propan-2-yl)phenyl]ethyl thiocyanate

Base Information

• Chemical Name: 2-Oxo-2-[4-(propan-2-yl)phenyl]ethyl thiocyanate
• CAS No.: 56430-89-8
• Molecular Formula: C12H13NOS
• Molecular Weight: 219.307
• DSSTox Substance ID: DTXSID60544298

Synonyms:56430-89-8;2-Oxo-2-[4-(propan-2-yl)phenyl]ethyl thiocyanate;SCHEMBL11436720;DTXSID60544298

Chemical Property of 2-Oxo-2-[4-(propan-2-yl)phenyl]ethyl thiocyanate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 219.07178521
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C(=O)CSC#N

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