![3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile structure](/static/products/6076/607697-02-9.webp)
3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
TL;DR: 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 607697-02-9) is a chemical compound with molecular formula C18H15F3N2S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 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, 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 | 348.09 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 |
| 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
3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 607697-02-9), with molecular formula C18H15F3N2S and molecular weight 348.09 g/mol. IUPAC: 3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
Property Insights of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
The XLogP value of 5.23978 indicates that 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The CAS number of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 607697-02-9.
What is the molecular formula of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular formula of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is C18H15F3N2S.
What is the molecular weight of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular weight of 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 348.09 g/mol.
Where can I buy 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
You can request a quote for 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.