5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 94971-19-4) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-(morpholin-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-Morpholino-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazole-5-thione, AB00733173-01
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 1.76649 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 571.26337 |
Chemical Identifiers
| CAS Number | 94971-19-4 |
|---|---|
| SMILES | C1COCCN1C2=NNC(=S)N2C3=CC=CC=C3 |
Product Overview
5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 94971-19-4), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: 3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.76649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.08 Ų, 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol is 94971-19-4.
What is the molecular formula of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol is C12H14N4OS.
What is the molecular weight of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol is 262.09 g/mol.
Where can I buy 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-morpholin-4-yl-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.