![{5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide structure](/static/products/3442/344271-72-3.webp)
{5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide
TL;DR: {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide (CAS 344271-72-3) is a chemical compound with molecular formula C18H16Cl3N3OS2 and molecular weight 458.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazole
Also Known As: {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide, 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazole, 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(2,6-dichlorophenyl)methanesulfinyl]methyl}-4-methyl-4H-1,2,4-triazole, 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(2,6-dichlorophenyl)methanesulfinylmethyl]-4-methyl-1,2,4-triazole
| Molecular Formula | C18H16Cl3N3OS2 |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 5.5165 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.98004 |
| Heavy Atoms | 27 |
| Complexity | 940.7357 |
Chemical Identifiers
| CAS Number | 344271-72-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CS(=O)CC3=C(C=CC=C3Cl)Cl |
Product Overview
{5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide (CAS 344271-72-3), with molecular formula C18H16Cl3N3OS2 and molecular weight 458.98 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazole.
Chemical Property Profile of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide
Property Insights of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide
The XLogP value of 5.5165 indicates that {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide?
The CAS number of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide is 344271-72-3.
What is the molecular formula of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide?
The molecular formula of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide is C18H16Cl3N3OS2.
What is the molecular weight of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide?
The molecular weight of {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide is 458.98 g/mol.
Where can I buy {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide?
You can request a quote for {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for {5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2,6-dichlorobenzyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.