5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS 23455-78-9) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(p-Aminophenyl)-s-triazole-3-thiol hydrate, 1H-1,2,4-Triazole-3-thiol, 5-(p-aminophenyl)-, hydrate, 3-(4-aminophenyl)-1H-1,2,4-triazole-5-thiol, 5-(4-amino-phenyl)-1,2-dihydro-[1,2,4]triazole-3-thione, 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.71649 |
| Topological Polar Surface Area | 70.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 453.4963 |
Chemical Identifiers
| CAS Number | 23455-78-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN2)N |
Product Overview
5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS 23455-78-9), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 1.71649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 70.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione has 3 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-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione is 23455-78-9.
What is the molecular formula of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione is C8H8N4S.
What is the molecular weight of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione is 192.05 g/mol.
Where can I buy 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Aminophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.