4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 65924-86-9) is a chemical compound with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-(4-chlorophenyl)-5-(4-morpholinylmethyl)-4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-2H-1,2,4-triazole-3-thione, 4-(4-Chlorophenyl)-2,4-dihydro-5-(4-morpholinylmethyl)-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H15ClN4OS |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 2.41549 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.06552 |
| Heavy Atoms | 20 |
| Complexity | 630.56586 |
Chemical Identifiers
| CAS Number | 65924-86-9 |
|---|---|
| SMILES | C1COCCN1CC2=NNC(=S)N2C3=CC=C(C=C3)Cl |
Product Overview
4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 65924-86-9), with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol. IUPAC: 4-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.41549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.08 Ų, 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-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 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol is 65924-86-9.
What is the molecular formula of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol is C13H15ClN4OS.
What is the molecular weight of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol is 310.07 g/mol.
Where can I buy 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-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 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.