trans-3-Hydroxy-4-benzylaminothiolane
TL;DR: trans-3-Hydroxy-4-benzylaminothiolane (CAS 1212208-21-3) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-4-(benzylamino)thiolan-3-ol
Also Known As: 4-(benzylamino)thiolan-3-ol, trans-3-hydroxy-4-benzylaminothiolane, (3S,4S)-4-(benzylamino)thiolan-3-ol, (3S,4S)-4-(benzylamino)tetrahydrothiophen-3-ol
Technical Specifications
| Molecular Formula | C11H15NOS |
| Molecular Weight | 209.08743 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08743 Da |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
| SMILES | C1[C@H]([C@@H](CS1)O)NCC2=CC=CC=C2 |
| InChIKey | QYXKARVYASZTJQ-GHMZBOCLSA-N |
Chemical Property Profile of trans-3-Hydroxy-4-benzylaminothiolane
Property Insights of trans-3-Hydroxy-4-benzylaminothiolane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-3-Hydroxy-4-benzylaminothiolane. With a topological polar surface area (TPSA) of 57.6 Ų, trans-3-Hydroxy-4-benzylaminothiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3-Hydroxy-4-benzylaminothiolane has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-3-Hydroxy-4-benzylaminothiolane?
The CAS number of trans-3-Hydroxy-4-benzylaminothiolane is 1212208-21-3.
What is the molecular formula of trans-3-Hydroxy-4-benzylaminothiolane?
The molecular formula of trans-3-Hydroxy-4-benzylaminothiolane is C11H15NOS.
What is the molecular weight of trans-3-Hydroxy-4-benzylaminothiolane?
The molecular weight of trans-3-Hydroxy-4-benzylaminothiolane is 209.08743 g/mol.
Where can I buy trans-3-Hydroxy-4-benzylaminothiolane?
You can request a quote for trans-3-Hydroxy-4-benzylaminothiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-3-Hydroxy-4-benzylaminothiolane?
Yes, CoreyChem provides custom synthesis services for trans-3-Hydroxy-4-benzylaminothiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.