![2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile structure](/static/products/6932/693253-91-7.webp)
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
TL;DR: 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 693253-91-7) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile, 2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile, 2-{[(4-METHYL-5-PHENYL-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL}BENZONITRILE
| Molecular Formula | C17H14N4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.64608 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0939 |
| Heavy Atoms | 22 |
| Complexity | 818.17535 |
Chemical Identifiers
| CAS Number | 693253-91-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=CC=C3 |
Product Overview
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 693253-91-7), with molecular formula C17H14N4S and molecular weight 306.09 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Property Insights of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
The XLogP value of 3.64608 indicates that 2-[(4-Methyl-5-phenyl-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, 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methyl-5-phenyl-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 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The CAS number of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 693253-91-7.
What is the molecular formula of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is C17H14N4S.
What is the molecular weight of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 306.09 g/mol.
Where can I buy 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 2-[(4-Methyl-5-phenyl-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 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.