![5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol structure](/static/products/5226/522606-46-8.webp)
5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 522606-46-8) is a chemical compound with molecular formula C20H30N4O3S2 and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-morpholin-4-ylsulfonylphenyl)-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol, AB00713591-01, 5-[3-(Morpholine-4-sulfonyl)-phenyl]-4-(1,1,3,3-tetramethyl-butyl)-4H-[1,2,4]triazole-3-thiol,
5-[3-(Morpholine-4-sulfonyl)-phenyl]-4-(1,1,3,3-tetramethyl-butyl)-4H-[1,2, 4]triazole-3-thiol, 3-(3-morpholin-4-ylsulfonylphenyl)-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C20H30N4O3S2 |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 3.79989 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.17593 |
| Heavy Atoms | 29 |
| Complexity | 1026.4811 |
Chemical Identifiers
| CAS Number | 522606-46-8 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 |
Product Overview
5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 522606-46-8), with molecular formula C20H30N4O3S2 and molecular weight 438.18 g/mol. IUPAC: 3-(3-morpholin-4-ylsulfonylphenyl)-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.79989 indicates that 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol is 522606-46-8.
What is the molecular formula of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol is C20H30N4O3S2.
What is the molecular weight of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol is 438.18 g/mol.
Where can I buy 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-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 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(morpholine-4-sulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.