![4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione structure](/static/products/2177/21776-79-4.webp)
4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
TL;DR: 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 21776-79-4) is a chemical compound with molecular formula C17H14N6S2 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione, 5,5'-methanediylbis(4-phenyl-4H-1,2,4-triazole-3-thiol), 5,5'-METHYLENEBIS(4-PHENYL-4H-1,2,4-TRIAZOLE), 4-phenyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione, 5,5'-methylenebis[2,4-dihydro-4-phenyl-
| Molecular Formula | C17H14N6S2 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 3.76398 |
| Topological Polar Surface Area | 67.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.07214 |
| Heavy Atoms | 25 |
| Complexity | 1015.50806 |
Chemical Identifiers
| CAS Number | 21776-79-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CC3=NNC(=S)N3C4=CC=CC=C4 |
Product Overview
4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 21776-79-4), with molecular formula C17H14N6S2 and molecular weight 366.07 g/mol. IUPAC: 4-phenyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
Property Insights of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
The XLogP value of 3.76398 indicates that 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione has 2 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 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The CAS number of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione is 21776-79-4.
What is the molecular formula of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione is C17H14N6S2.
What is the molecular weight of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione is 366.07 g/mol.
Where can I buy 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.