(5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol
TL;DR: (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol (CAS 1394680-91-1) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol
Also Known As: (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol, J3.325.714G, (S)-2,3,4,5-Tetrahydro-1-benzothiepin-5-ol
Technical Specifications
| Molecular Formula | C10H12OS |
| Molecular Weight | 180.06088 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06088 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | C1C[C@@H](C2=CC=CC=C2SC1)O |
| InChIKey | KAFZCUFUJCWFTO-VIFPVBQESA-N |
Chemical Property Profile of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol
Property Insights of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol. With a topological polar surface area (TPSA) of 45.5 Ų, (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol 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 (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol?
The CAS number of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol is 1394680-91-1.
What is the molecular formula of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol?
The molecular formula of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol is C10H12OS.
What is the molecular weight of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol?
The molecular weight of (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol is 180.06088 g/mol.
Where can I buy (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol?
You can request a quote for (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol?
Yes, CoreyChem provides custom synthesis services for (5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.