4-Ethyl-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Base Information

• Chemical Name: 4-Ethyl-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
• CAS No.: 885268-41-7
• Molecular Formula: C14H16N2OS
• Molecular Weight: 260.36
• DSSTox Substance ID: DTXSID701133259
• Mol file: 885268-41-7.mol

Synonyms:885268-41-7;4-ethyl-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile;4-ethyl-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile;4-ethyl-7,7-dimethyl-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile;DTXSID701133259;AKOS000813645;VU0549355-1;EN300-235819;F9995-0378;4-Ethyl-1,2,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-2-thioxo-3-quinolinecarbonitrile

Chemical Property of 4-Ethyl-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 260.09833431
• Heavy Atom Count: 18
• Complexity: 558

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Ethyl-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile 95%+ ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=S)NC2=C1C(=O)CC(C2)(C)C)C#N

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