![5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol structure](/static/products/4360/436090-11-8.webp)
5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol
TL;DR: 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol (CAS 436090-11-8) is a chemical compound with molecular formula C10H11ClN4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloroanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02324896, 3-[(3-chloroanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 5-[[(3-Chlorophenyl)amino]methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione, 5-[(3-Chloro-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C10H11ClN4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 2.74319 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03929 |
| Heavy Atoms | 16 |
| Complexity | 545.7472 |
Chemical Identifiers
| CAS Number | 436090-11-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC2=CC(=CC=C2)Cl |
Product Overview
5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol (CAS 436090-11-8), with molecular formula C10H11ClN4S and molecular weight 254.04 g/mol. IUPAC: 3-[(3-chloroanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol
Property Insights of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol
The XLogP value of 2.74319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 45.64 Ų, 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol 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 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol?
The CAS number of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol is 436090-11-8.
What is the molecular formula of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol?
The molecular formula of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol is C10H11ClN4S.
What is the molecular weight of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol?
The molecular weight of 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol is 254.04 g/mol.
Where can I buy 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol?
You can request a quote for 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-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-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.