![(5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid structure](/static/products/886/886498-66-4.png)
(5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
TL;DR: (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 886498-66-4) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-((5-Ethyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid, (5-ethyl-4-methyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-((5-Ethyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)aceticacid
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 0.5542 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 310.68634 |
Chemical Identifiers
| CAS Number | 886498-66-4 |
|---|---|
| SMILES | CCC1=NN=C(N1C)SCC(=O)O |
Product Overview
(5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 886498-66-4), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
Property Insights of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
The XLogP value of 0.5542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid 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 (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The CAS number of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 886498-66-4.
What is the molecular formula of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular formula of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is C7H11N3O2S.
What is the molecular weight of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular weight of (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 201.06 g/mol.
Where can I buy (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
You can request a quote for (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Ethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.