1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 129340-02-9) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.0488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Also Known As: 1-(4-chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(4-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile, 1-(4-Chloro-phenyl)-3-mercapto-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile, 1-(4-chlorophenyl)-3-thioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Technical Specifications
| Molecular Formula | C16H13ClN2S |
| Molecular Weight | 300.0488 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0488 Da |
| Heavy Atoms | 20 |
| Complexity | 544.0 |
| SMILES | C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC=C(C=C3)Cl |
| InChIKey | XLSVRZLHGBJWLG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.5 indicates that 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 129340-02-9.
What is the molecular formula of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C16H13ClN2S.
What is the molecular weight of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 300.0488 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.