((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol
TL;DR: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol (CAS 156171-03-8) is a chemical compound with molecular formula C10H19NS and molecular weight 185.12383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanethiol
Also Known As: Thiolupinine, Mercaptolupinane, (Quinolizidin-1alpha-yl)methanthiol, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol, 2H-Quinolizine-1-methanethiol, octahydro-, (1R,9aR)-
Technical Specifications
| Molecular Formula | C10H19NS |
| Molecular Weight | 185.12383 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 4.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.12383 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CS |
| InChIKey | IDJFQEVIICXDDP-VHSXEESVSA-N |
Chemical Property Profile of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol
Property Insights of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol. With a topological polar surface area (TPSA) of 4.2 Ų, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol 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 ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol?
The CAS number of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol is 156171-03-8.
What is the molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol?
The molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol is C10H19NS.
What is the molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol?
The molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol is 185.12383 g/mol.
Where can I buy ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol?
You can request a quote for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol?
Yes, CoreyChem provides custom synthesis services for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.