![N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide structure](/static/products/7542/754233-93-7.webp)
N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide
TL;DR: N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide (CAS 754233-93-7) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
Also Known As: BAS 08866846, BB 0217463, N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide, N-[1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide, N-[1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 1.96869 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 602.04004 |
Chemical Identifiers
| CAS Number | 754233-93-7 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1C)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide (CAS 754233-93-7), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: N-[1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide.
Chemical Property Profile of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide
Property Insights of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide
The XLogP value of 1.96869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide. Following Lipinski's Rule of Five, N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide has 2 hydrogen bond donor(s) and 3 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 N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
The CAS number of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide is 754233-93-7.
What is the molecular formula of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
The molecular formula of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide is C12H14N4OS.
What is the molecular weight of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
The molecular weight of N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide is 262.09 g/mol.
Where can I buy N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
You can request a quote for N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.