Isoquinoline-1-thiol
TL;DR: Isoquinoline-1-thiol (CAS 139266-05-0) is a chemical compound with molecular formula C9H7NS and molecular weight 161.02992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2H-isoquinoline-1-thione
Also Known As: Isoquinoline-1-thiol, 1-Isoquinolinethiol, 2H-isoquinoline-1-thione, isoquinolinethiol, isoquinolinethione
Technical Specifications
| Molecular Formula | C9H7NS |
| Molecular Weight | 161.02992 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.02992 Da |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
| SMILES | C1=CC=C2C(=C1)C=CNC2=S |
| InChIKey | IOYIDSMWPLNHRC-UHFFFAOYSA-N |
Chemical Property Profile of Isoquinoline-1-thiol
Property Insights of Isoquinoline-1-thiol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-1-thiol. With a topological polar surface area (TPSA) of 44.1 Ų, Isoquinoline-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-1-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoquinoline-1-thiol?
The CAS number of Isoquinoline-1-thiol is 139266-05-0.
What is the molecular formula of Isoquinoline-1-thiol?
The molecular formula of Isoquinoline-1-thiol is C9H7NS.
What is the molecular weight of Isoquinoline-1-thiol?
The molecular weight of Isoquinoline-1-thiol is 161.02992 g/mol.
Where can I buy Isoquinoline-1-thiol?
You can request a quote for Isoquinoline-1-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinoline-1-thiol?
Yes, CoreyChem provides custom synthesis services for Isoquinoline-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.