![ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/1490/14902-03-5.webp)
ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 14902-03-5) 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.
ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: BAS 03014557, J1.592.964B, ETHYL 2-[(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETATE, ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 14902-03-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)C |
| InChIKey | JWFIQEOIHJACSI-UHFFFAOYSA-N |
Product Overview
ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 14902-03-5), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(5-methyl-4H-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 ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(5-methyl-4H-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 ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 14902-03-5.
What is the molecular formula of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C7H11N3O2S.
What is the molecular weight of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 201.06 g/mol.
Where can I buy ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for ethyl [(5-methyl-4H-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 ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.