![ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate structure](/static/products/3387/338773-85-6.webp)
ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate
TL;DR: ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate (CAS 338773-85-6) is a chemical compound with molecular formula C7H11N5O2S and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-amino-1,2,4-triazole-1-carbothioyl)amino]acetate
Also Known As: ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate, ethyl 2-[(3-amino-1H-1,2,4-triazole-1-carbothioyl)amino]acetate, ethyl 2-[(3-amino-1,2,4-triazole-1-carbothioyl)amino]acetate, ethyl2-[(3-amino-1H-1,2,4-triazole-1-carbothioyl)amino]acetate, ethyl 2-([(3-amino-1h-1,2,4-triazol-1-yl)carbothioyl]amino)acetate
| Molecular Formula | C7H11N5O2S |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | -0.854 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.06334 |
| Heavy Atoms | 15 |
| Complexity | 364.01746 |
Chemical Identifiers
| CAS Number | 338773-85-6 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)N1C=NC(=N1)N |
Product Overview
ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate (CAS 338773-85-6), with molecular formula C7H11N5O2S and molecular weight 229.06 g/mol. IUPAC: ethyl 2-[(3-amino-1,2,4-triazole-1-carbothioyl)amino]acetate.
Chemical Property Profile of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate
Property Insights of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate
The XLogP value of -0.854 indicates that ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate. Following Lipinski's Rule of Five, ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate has 2 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 ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate?
The CAS number of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate is 338773-85-6.
What is the molecular formula of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate?
The molecular formula of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate is C7H11N5O2S.
What is the molecular weight of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate?
The molecular weight of ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate is 229.06 g/mol.
Where can I buy ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate?
You can request a quote for ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(3-amino-1H-1,2,4-triazol-1-yl)carbothioyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.