![(4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid structure](/static/products/886/886498-57-3.png)
(4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
TL;DR: (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 886498-57-3) is a chemical compound with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-((4-Allyl-5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid, 2-((4-Allyl-5-methyl-4H-1,2,4-triazol-3-yl)thio)aceticacid, (4-allyl-5-methyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
| Molecular Formula | C8H11N3O2S |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.94922 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.0572 |
| Heavy Atoms | 14 |
| Complexity | 348.35562 |
Chemical Identifiers
| CAS Number | 886498-57-3 |
|---|---|
| SMILES | CC1=NN=C(N1CC=C)SCC(=O)O |
Product Overview
(4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 886498-57-3), with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol. IUPAC: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
Property Insights of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
The XLogP value of 0.94922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Allyl-5-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 (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (4-Allyl-5-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 (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The CAS number of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 886498-57-3.
What is the molecular formula of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular formula of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is C8H11N3O2S.
What is the molecular weight of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular weight of (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 213.06 g/mol.
Where can I buy (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
You can request a quote for (4-Allyl-5-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 (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Allyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.