![5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole structure](/static/products/849/849026-68-2.png)
5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole
TL;DR: 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole (CAS 849026-68-2) is a chemical compound with molecular formula C19H18ClN3S and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-(3-chlorophenyl)-5-((4-methylbenzyl)thio)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(4-methylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 5-(3-chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole, 3-(3-chlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C19H18ClN3S |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | 5.38522 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.091 |
| Heavy Atoms | 24 |
| Complexity | 840.0732 |
Chemical Identifiers
| CAS Number | 849026-68-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Cl |
Product Overview
5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole (CAS 849026-68-2), with molecular formula C19H18ClN3S and molecular weight 355.09 g/mol. IUPAC: 3-(3-chlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole
Property Insights of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole
The XLogP value of 5.38522 indicates that 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-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, 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole?
The CAS number of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole is 849026-68-2.
What is the molecular formula of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole?
The molecular formula of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole is C19H18ClN3S.
What is the molecular weight of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole?
The molecular weight of 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole is 355.09 g/mol.
Where can I buy 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole?
You can request a quote for 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-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 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.