4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 668471-48-5) is a chemical compound with molecular formula C13H10Cl2N4S and molecular weight 324.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)-1H-1,2,4-triazole-5-thione, 4- -5- -4H-1,2,4-TRIAZOLE-3-THIOL, I14-93642, 4-(2,4-DICHLOROPHENYL)-5-(1-METHYL-1H-PYRROL-2-YL)-4H-[1,2,4]TRIAZOLE-3-THIOL
| Molecular Formula | C13H10Cl2N4S |
|---|---|
| Molecular Weight | 324.00 g/mol |
| LogP | 4.24219 |
| Topological Polar Surface Area | 38.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.00034 |
| Heavy Atoms | 20 |
| Complexity | 831.0114 |
Chemical Identifiers
| CAS Number | 668471-48-5 |
|---|---|
| SMILES | CN1C=CC=C1C2=NNC(=S)N2C3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 668471-48-5), with molecular formula C13H10Cl2N4S and molecular weight 324.00 g/mol. IUPAC: 4-(2,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.24219 indicates that 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-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 38.54 Ų, 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol is 668471-48-5.
What is the molecular formula of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol is C13H10Cl2N4S.
What is the molecular weight of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol is 324.00 g/mol.
Where can I buy 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-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 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dichlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.