![2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide structure](/static/products/7906/790681-95-7.webp)
2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide
TL;DR: 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide (CAS 790681-95-7) is a chemical compound with molecular formula C8H15N5OS2 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
Also Known As: 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide, 2-((4-Amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide, 2-[(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide, 2-[(4-Amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C8H15N5OS2 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 0.61499 |
| Topological Polar Surface Area | 79.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.0718 |
| Heavy Atoms | 16 |
| Complexity | 408.80634 |
Chemical Identifiers
| CAS Number | 790681-95-7 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NNC(=S)N1N |
Product Overview
2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide (CAS 790681-95-7), with molecular formula C8H15N5OS2 and molecular weight 261.07 g/mol. IUPAC: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide
Property Insights of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide
The XLogP value of 0.61499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide. The TPSA of 79.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide has 2 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 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide?
The CAS number of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide is 790681-95-7.
What is the molecular formula of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide?
The molecular formula of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide is C8H15N5OS2.
What is the molecular weight of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide?
The molecular weight of 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide is 261.07 g/mol.
Where can I buy 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide?
You can request a quote for 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)thio]-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.