![4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/2135/21358-18-9.webp)
4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 21358-18-9) is a chemical compound with molecular formula C12H11Cl2N3OS and molecular weight 315.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-phenoxymethyl-4H-[1,2,4]triazole-3-thiol, 3-[(2,4-dichlorophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-allyl-5-(2,4-dichlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C12H11Cl2N3OS |
|---|---|
| Molecular Weight | 315.00 g/mol |
| LogP | 4.01249 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0 |
| Heavy Atoms | 19 |
| Complexity | 650.6643 |
Chemical Identifiers
| CAS Number | 21358-18-9 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)COC2=C(C=C(C=C2)Cl)Cl |
Product Overview
4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 21358-18-9), with molecular formula C12H11Cl2N3OS and molecular weight 315.00 g/mol. IUPAC: 3-[(2,4-dichlorophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.01249 indicates that 4-allyl-5-[(2,4-dichlorophenoxy)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 42.84 Ų, 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-5-[(2,4-dichlorophenoxy)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 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 21358-18-9.
What is the molecular formula of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C12H11Cl2N3OS.
What is the molecular weight of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 315.00 g/mol.
Where can I buy 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-[(2,4-dichlorophenoxy)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 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.