5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 324052-33-7) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, BAS 00792574, AB00095072-01, 3-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione, 5-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 324052-33-7 |
|---|---|
| SMILES | CC(=C)CN1C(=NNC1=S)COC2=CC=C(C=C2)Cl |
| InChIKey | YUWBEGIIMMQAQS-UHFFFAOYSA-N |
Product Overview
5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 324052-33-7), with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.6 indicates that 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-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-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 324052-33-7.
What is the molecular formula of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is C13H14ClN3OS.
What is the molecular weight of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 295.05 g/mol.
Where can I buy 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-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-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenoxymethyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.