4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol (CAS 847783-73-7) is a chemical compound with molecular formula C10H18N4OS and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol, 4-Isobutyl-5-morpholino-4H-1,2,4-triazole-3-thiol, 4-(2-methylpropyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(2-methylpropyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione, AB00734429-01
| Molecular Formula | C10H18N4OS |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 1.43329 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.12013 |
| Heavy Atoms | 16 |
| Complexity | 391.76843 |
Chemical Identifiers
| CAS Number | 847783-73-7 |
|---|---|
| SMILES | CC(C)CN1C(=S)NN=C1N2CCOCC2 |
Product Overview
4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol (CAS 847783-73-7), with molecular formula C10H18N4OS and molecular weight 242.12 g/mol. IUPAC: 4-(2-methylpropyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.43329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.08 Ų, 4-isobutyl-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-isobutyl-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-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol is 847783-73-7.
What is the molecular formula of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol is C10H18N4OS.
What is the molecular weight of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol is 242.12 g/mol.
Where can I buy 4-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-isobutyl-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-isobutyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-isobutyl-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.