![3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole structure](/static/products/896/896822-47-2.png)
3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole
TL;DR: 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole (CAS 896822-47-2) is a chemical compound with molecular formula C16H15Cl2N3S2 and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole
Also Known As: 3-((2,6-dichlorobenzyl)thio)-4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole, 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole, 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
| Molecular Formula | C16H15Cl2N3S2 |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 5.5494 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.00845 |
| Heavy Atoms | 23 |
| Complexity | 764.4817 |
Chemical Identifiers
| CAS Number | 896822-47-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)CC3=CC=CS3 |
Product Overview
3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole (CAS 896822-47-2), with molecular formula C16H15Cl2N3S2 and molecular weight 383.01 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole
Property Insights of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole
The XLogP value of 5.5494 indicates that 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole 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 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole?
The CAS number of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole is 896822-47-2.
What is the molecular formula of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole?
The molecular formula of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole is C16H15Cl2N3S2.
What is the molecular weight of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole?
The molecular weight of 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole is 383.01 g/mol.
Where can I buy 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole?
You can request a quote for 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-Dichlorophenyl)methylthio]-4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.