5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole
TL;DR: 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole (CAS 6111-92-8) is a chemical compound with molecular formula C10H11N3O2S and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(4-methylphenyl)sulfonyltriazole
Also Known As: 5-methyl-1-(4-methylphenyl)sulfonyltriazole, 5-methyl-1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole, AE-848/32190058, 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole, cyclohexyl(3,17-dihydroxy-17-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-ethenocyclopenta[a]phenanthren-7-yl)methanone
| Molecular Formula | C10H11N3O2S |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.13194 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0572 |
| Heavy Atoms | 16 |
| Complexity | 599.2493 |
Chemical Identifiers
| CAS Number | 6111-92-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=CN=N2)C |
Product Overview
5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole (CAS 6111-92-8), with molecular formula C10H11N3O2S and molecular weight 237.06 g/mol. IUPAC: 5-methyl-1-(4-methylphenyl)sulfonyltriazole.
Chemical Property Profile of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole
Property Insights of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole
The XLogP value of 1.13194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole. Following Lipinski's Rule of Five, 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole has 0 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-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole?
The CAS number of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole is 6111-92-8.
What is the molecular formula of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole?
The molecular formula of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole is C10H11N3O2S.
What is the molecular weight of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole?
The molecular weight of 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole is 237.06 g/mol.
Where can I buy 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole?
You can request a quote for 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.