4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione
TL;DR: 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (CAS 61480-14-6) 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.
4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol, 7-Borono-1H-Indole, 4-amino-5-phenyl-4H-[1,2,4]triazole-3-thiol, 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione, 1,4,7,10-Tetraazacyclododecane
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 61480-14-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2N |
| InChIKey | OKNHZPGPLNUEPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (CAS 61480-14-6), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione
Property Insights of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione. Following Lipinski's Rule of Five, 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione has 2 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-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione?
The CAS number of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione is 61480-14-6.
What is the molecular formula of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione?
The molecular formula of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione is C8H8N4S.
What is the molecular weight of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione?
The molecular weight of 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione is 192.05 g/mol.
Where can I buy 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione?
You can request a quote for 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.