![5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol structure](/static/products/5190/519045-06-8.webp)
5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol
TL;DR: 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol (CAS 519045-06-8) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.42889 |
| Topological Polar Surface Area | 76.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 853.2539 |
Chemical Identifiers
| CAS Number | 519045-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol (CAS 519045-06-8), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol
Property Insights of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol
The XLogP value of 3.42889 indicates that 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol?
The CAS number of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol is 519045-06-8.
What is the molecular formula of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol is C15H12N4O2S.
What is the molecular weight of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol is 312.07 g/mol.
Where can I buy 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(4-Nitrophenyl)methyl]-4-phenyl-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-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Nitrophenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.