2-Phenylthiomorpholine
TL;DR: 2-Phenylthiomorpholine (CAS 77082-31-6) 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.
2-phenylthiomorpholine
Also Known As: 2-phenylthiomorpholine, 2-PHENYL-THIOMORPHOLINE, Thiomorpholine,2-phenyl-, Thiomorpholine,2-phenyl, 2-Pyrazinecarbonylchloride
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.0641 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 228.85371 |
Chemical Identifiers
| CAS Number | 77082-31-6 |
|---|---|
| SMILES | C1CSC(CN1)C2=CC=CC=C2 |
Product Overview
2-Phenylthiomorpholine (CAS 77082-31-6), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 2-phenylthiomorpholine.
Chemical Property Profile of 2-Phenylthiomorpholine
Property Insights of 2-Phenylthiomorpholine
The XLogP value of 2.0641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylthiomorpholine. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Phenylthiomorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylthiomorpholine 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
Frequently Asked Questions
What is the CAS number of 2-Phenylthiomorpholine?
The CAS number of 2-Phenylthiomorpholine is 77082-31-6.
What is the molecular formula of 2-Phenylthiomorpholine?
The molecular formula of 2-Phenylthiomorpholine is C10H13NS.
What is the molecular weight of 2-Phenylthiomorpholine?
The molecular weight of 2-Phenylthiomorpholine is 179.08 g/mol.
Where can I buy 2-Phenylthiomorpholine?
You can request a quote for 2-Phenylthiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylthiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylthiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.