5-Oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carbonitrile

Base Information

• Chemical Name: 5-Oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carbonitrile
• CAS No.: 88267-23-6
• Molecular Formula: C₁₁H₉NOS
• Molecular Weight: 203.265
• DSSTox Substance ID: DTXSID60520719
• Mol file: 88267-23-6.mol

Synonyms:5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carbonitrile;88267-23-6;DTXSID60520719;5-oxo-3,4-dihydro-2H-[1]benzothiepine-4-carbonitrile

Chemical Property of 5-Oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carbonitrile

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 203.04048508
• Heavy Atom Count: 14
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC2=CC=CC=C2C(=O)C1C#N