AC1LYPPG
3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: KS-00001YUB|3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile|3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|6T-0210|3-(Methylthio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|3-(Methylsulfanyl)-1-3-(trifluoromethyl)phenyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
| Molecular Formula | C18H15F3N2S |
|---|---|
| Molecular Weight | 348.0908 g/mol |
| LogP | 5.23978 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0908 |
| Monoisotopic Mass | 348.0908 |
| Heavy Atoms | 24 |
| Complexity | 822.2343 |
Chemical Identifiers
| CAS Number | 607697-02-9 |
|---|---|
| SMILES | CSC1=C(C2=C(CCCC2)C(=N1)C3=CC(=CC=C3)C(F)(F)F)C#N |
Product Overview
AC1LYPPG (CAS 607697-02-9), with molecular formula C18H15F3N2S and molecular weight 348.0908 g/mol. IUPAC: 3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
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