4-Benzylthiomorpholine
TL;DR: 4-Benzylthiomorpholine (CAS 72662-80-7) is a chemical compound with molecular formula C11H15NS and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylthiomorpholine
Also Known As: 4-benzylthiomorpholine, benzylthiomorpholine, Thiomorpholine, 4-(phenylmethyl)-, Cambridge id 5256929
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.2354 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 241.52701 |
Chemical Identifiers
| CAS Number | 72662-80-7 |
|---|---|
| SMILES | C1CSCCN1CC2=CC=CC=C2 |
Product Overview
4-Benzylthiomorpholine (CAS 72662-80-7), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: 4-benzylthiomorpholine.
Chemical Property Profile of 4-Benzylthiomorpholine
Property Insights of 4-Benzylthiomorpholine
The XLogP value of 2.2354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylthiomorpholine. With a topological polar surface area (TPSA) of 3.24 Ų, 4-Benzylthiomorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylthiomorpholine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzylthiomorpholine?
The CAS number of 4-Benzylthiomorpholine is 72662-80-7.
What is the molecular formula of 4-Benzylthiomorpholine?
The molecular formula of 4-Benzylthiomorpholine is C11H15NS.
What is the molecular weight of 4-Benzylthiomorpholine?
The molecular weight of 4-Benzylthiomorpholine is 193.09 g/mol.
Where can I buy 4-Benzylthiomorpholine?
You can request a quote for 4-Benzylthiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylthiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylthiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.