![Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/900/900352-07-0.png)
Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate (CAS 900352-07-0) is a chemical compound with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate, methyl {[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, METHYL 2-{[4-ETHYL-5-(2-THIENYLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETATE
| Molecular Formula | C12H15N3O2S2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.2154 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.06058 |
| Heavy Atoms | 19 |
| Complexity | 537.1718 |
Chemical Identifiers
| CAS Number | 900352-07-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OC)CC2=CC=CS2 |
Product Overview
Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate (CAS 900352-07-0), with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol. IUPAC: methyl 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 2.2154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate. With a topological polar surface area (TPSA) of 57.01 Ų, Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate has 0 hydrogen bond donor(s) and 6 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-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate is 900352-07-0.
What is the molecular formula of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate is C12H15N3O2S2.
What is the molecular weight of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate is 297.06 g/mol.
Where can I buy Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]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-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.