5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 51655-29-9) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol, 3-benzyl-4-methyl-1H-1,2,4-triazole-5-thione, 5-benzyl-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-methyl-5-benzyl-1,2,4-triazole-3-thiol, 5-benzyl-4-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 51655-29-9 |
|---|---|
| SMILES | CN1C(=NNC1=S)CC2=CC=CC=C2 |
| InChIKey | MJOLNPWSILTXMX-UHFFFAOYSA-N |
Product Overview
5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 51655-29-9), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 3-benzyl-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.7 Ų, 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is 51655-29-9.
What is the molecular formula of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is C10H11N3S.
What is the molecular weight of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is 205.07 g/mol.
Where can I buy 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-benzyl-4-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 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.