4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 847783-76-0) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(3-methylphenyl)-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol, AB00734432-01, 4-(3-methylphenyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione, 3-morpholino-4-(m-tolyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.07491 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 627.5686 |
Chemical Identifiers
| CAS Number | 847783-76-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=S)NN=C2N3CCOCC3 |
Product Overview
4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 847783-76-0), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: 4-(3-methylphenyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.07491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.08 Ų, 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-methylphenyl)-5-(morpholin-4-yl)-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-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol is 847783-76-0.
What is the molecular formula of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol is C13H16N4OS.
What is the molecular weight of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol is 276.10 g/mol.
Where can I buy 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-methylphenyl)-5-(morpholin-4-yl)-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-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.