4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-
TL;DR: 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- (CAS 839680-24-9) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-, 3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(Methylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(METHYLSULFANYL)-5,6,7,8-TETRAHYDROISOQUINOLINE-4-CARBONITRILE, RefChem:293639
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 2.55398 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 393.0094 |
Chemical Identifiers
| CAS Number | 839680-24-9 |
|---|---|
| SMILES | CSC1=NC=C2CCCCC2=C1C#N |
Product Overview
4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- (CAS 839680-24-9), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-
Property Insights of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-
The XLogP value of 2.55398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-. With a topological polar surface area (TPSA) of 36.68 Ų, 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-?
The CAS number of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- is 839680-24-9.
What is the molecular formula of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-?
The molecular formula of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- is C11H12N2S.
What is the molecular weight of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-?
The molecular weight of 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- is 204.07 g/mol.
Where can I buy 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-?
You can request a quote for 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.