5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol
TL;DR: 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol (CAS 5397-85-3) 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.
3-amino-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-amino-4-phenyl-4h-1,2,4-triazole-3-thiol, 5-imino-4-phenyl-pyrrolidin-2-one, SDCCGMLS-0064557.P001, 5-amino-4-phenyl-2H-1,2,4-triazole-3-thione, 5-amino-4-phenyl-1,2,4-triazole-3-thiol
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 5397-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)N |
| InChIKey | CBILWXOSKBQRGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol (CAS 5397-85-3), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 3-amino-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol
Property Insights of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol. Following Lipinski's Rule of Five, 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol has 2 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 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol?
The CAS number of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol is 5397-85-3.
What is the molecular formula of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol?
The molecular formula of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol is C8H8N4S.
What is the molecular weight of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol?
The molecular weight of 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol is 192.05 g/mol.
Where can I buy 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol?
You can request a quote for 5-Amino-4-phenyl-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-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.