![ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/3523/352349-53-2.webp)
ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 352349-53-2) is a chemical compound with molecular formula C6H10N4O2S and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: ChemDiv2_004430, TOS-BB-1214, ethyl 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, IDI1_003145
| Molecular Formula | C6H10N4O2S |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 0.0421 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.05244 |
| Heavy Atoms | 13 |
| Complexity | 287.91653 |
Chemical Identifiers
| CAS Number | 352349-53-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)N |
Product Overview
ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 352349-53-2), with molecular formula C6H10N4O2S and molecular weight 202.05 g/mol. IUPAC: ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 0.0421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]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-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 352349-53-2.
What is the molecular formula of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C6H10N4O2S.
What is the molecular weight of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 202.05 g/mol.
Where can I buy ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(5-amino-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 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.