5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 17418-21-2) 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-amino-2-phenyl-1H-1,2,4-triazole-3-thione
Also Known As: 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, ZERO/006071, 5-amino-2-phenyl-1H-1,2,4-triazole-3-thione, 3-amino-1-phenyl-1,2,4-triazoline-5-thione, 3-Amino-1-phenyl-1H-1,2,4-triazole-5(4H)-thione
| 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 | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 17418-21-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=S)N=C(N2)N |
| InChIKey | LGTVZBMFUQZSDK-UHFFFAOYSA-N |
Product Overview
5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 17418-21-2), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 5-amino-2-phenyl-1H-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 1 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-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 17418-21-2.
What is the molecular formula of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C8H8N4S.
What is the molecular weight of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 192.05 g/mol.
Where can I buy 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-amino-2-phenyl-2,4-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-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-2-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.