![4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol structure](/static/products/6505/650593-67-2.webp)
4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol
TL;DR: 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol (CAS 650593-67-2) is a chemical compound with molecular formula C17H17N3S2 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[(2-methylphenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol, 4-Benzyl-5-((o-tolylthio)methyl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-3-[(2-methylphenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione, 4-Benzyl-5-([(2-methylphenyl)thio]methyl)-4h-1,2,4-triazole-3-thiol, AO-080/42479716
| Molecular Formula | C17H17N3S2 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.58971 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0864 |
| Heavy Atoms | 22 |
| Complexity | 806.0263 |
Chemical Identifiers
| CAS Number | 650593-67-2 |
|---|---|
| SMILES | CC1=CC=CC=C1SCC2=NNC(=S)N2CC3=CC=CC=C3 |
Product Overview
4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol (CAS 650593-67-2), with molecular formula C17H17N3S2 and molecular weight 327.09 g/mol. IUPAC: 4-benzyl-3-[(2-methylphenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol
Property Insights of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.58971 indicates that 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol has 1 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 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol is 650593-67-2.
What is the molecular formula of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol is C17H17N3S2.
What is the molecular weight of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol is 327.09 g/mol.
Where can I buy 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-5-{[(2-methylphenyl)thio]methyl}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.