4-Phenylthiomorpholine
TL;DR: 4-Phenylthiomorpholine (CAS 6338-17-6) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylthiomorpholine
Also Known As: 4-phenylthiomorpholine, Thiomorpholine,4-phenyl-, 4-phenyl thiomorpholine, 4-phenyl-1,4-tetrahydrothiazine, 4-Phenyltetrahydro-4H-1,4-thiazine
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 6338-17-6 |
|---|---|
| SMILES | C1CSCCN1C2=CC=CC=C2 |
| InChIKey | DPXANBQAIVUQDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenylthiomorpholine (CAS 6338-17-6), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 4-phenylthiomorpholine.
Chemical Property Profile of 4-Phenylthiomorpholine
Property Insights of 4-Phenylthiomorpholine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylthiomorpholine. With a topological polar surface area (TPSA) of 28.5 Ų, 4-Phenylthiomorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylthiomorpholine 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-Phenylthiomorpholine?
The CAS number of 4-Phenylthiomorpholine is 6338-17-6.
What is the molecular formula of 4-Phenylthiomorpholine?
The molecular formula of 4-Phenylthiomorpholine is C10H13NS.
What is the molecular weight of 4-Phenylthiomorpholine?
The molecular weight of 4-Phenylthiomorpholine is 179.08 g/mol.
Where can I buy 4-Phenylthiomorpholine?
You can request a quote for 4-Phenylthiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylthiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylthiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.