![5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/3442/344271-97-2.webp)
5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 344271-97-2) is a chemical compound with molecular formula C11H11Cl2N3OS2 and molecular weight 334.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 7H-485S, 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-(((2,4-Dichlorobenzyl)sulfinyl)methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-methyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C11H11Cl2N3OS2 |
|---|---|
| Molecular Weight | 334.97 g/mol |
| LogP | 3.23339 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.97205 |
| Heavy Atoms | 19 |
| Complexity | 680.82007 |
Chemical Identifiers
| CAS Number | 344271-97-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)CS(=O)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 344271-97-2), with molecular formula C11H11Cl2N3OS2 and molecular weight 334.97 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.23339 indicates that 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-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 50.68 Ų, 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-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-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-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 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol is 344271-97-2.
What is the molecular formula of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol is C11H11Cl2N3OS2.
What is the molecular weight of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol is 334.97 g/mol.
Where can I buy 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-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-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.