![3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile structure](/static/products/824/824972-59-0.png)
3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
TL;DR: 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 824972-59-0) is a chemical compound with molecular formula C18H16N4S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile, 3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}benzonitrile, 3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 3.7988 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 833.72797 |
Chemical Identifiers
| CAS Number | 824972-59-0 |
|---|---|
| SMILES | CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=CC=C3)C#N |
Product Overview
3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 824972-59-0), with molecular formula C18H16N4S and molecular weight 320.11 g/mol. IUPAC: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Property Insights of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
The XLogP value of 3.7988 indicates that 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The CAS number of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 824972-59-0.
What is the molecular formula of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is C18H16N4S.
What is the molecular weight of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 320.11 g/mol.
Where can I buy 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.