3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
TL;DR: 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 129340-04-1) is a chemical compound with molecular formula C17H16N2S and molecular weight 280.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Also Known As: 3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile, SALOR-INT L479365-1EA, 3-Mercapto-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile, 1-(4-methylphenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Technical Specifications
| Molecular Formula | C17H16N2S |
| Molecular Weight | 280.10342 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.10342 Da |
| Heavy Atoms | 20 |
| Complexity | 539.0 |
| SMILES | CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=S)N2)C#N |
| InChIKey | WSBLVDBNRGBMFY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
Property Insights of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
The XLogP value of 3.2 indicates that 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile. Following Lipinski's Rule of Five, 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The CAS number of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 129340-04-1.
What is the molecular formula of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular formula of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is C17H16N2S.
What is the molecular weight of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular weight of 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 280.10342 g/mol.
Where can I buy 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
You can request a quote for 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Mercapto-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.