![methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/4594/459419-77-3.webp)
methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 459419-77-3) is a chemical compound with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: BAS 03014556, AP-048/15613009, methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-((5-methyl-1H-1,2,4-triazol-3-yl)thio)acetate, methyl [(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C6H9N3O2S |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.04155 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 459419-77-3 |
|---|---|
| SMILES | CC1=NC(=NN1)SCC(=O)OC |
| InChIKey | AIZGSCKSZHDZIU-UHFFFAOYSA-N |
Product Overview
methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 459419-77-3), with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol. IUPAC: methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate 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 methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate is 459419-77-3.
What is the molecular formula of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate is C6H9N3O2S.
What is the molecular weight of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate is 187.04 g/mol.
Where can I buy methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.