![4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide structure](/static/products/4780/478062-79-2.webp)
4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide
TL;DR: 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 478062-79-2) is a chemical compound with molecular formula C16H12N4S2 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(3-pyrrol-1-ylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 6P-326S, 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide, 4-phenyl-3-(3-pyrrol-1-ylthiophen-2-yl)-1H-1,2,4-triazole-5-thione, 4-phenyl-5-[3-(1H-pyrrol-1-yl)thiophen-2-yl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H12N4S2 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 4.44909 |
| Topological Polar Surface Area | 38.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.05035 |
| Heavy Atoms | 22 |
| Complexity | 945.6328 |
Chemical Identifiers
| CAS Number | 478062-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=C(C=CS3)N4C=CC=C4 |
Product Overview
4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 478062-79-2), with molecular formula C16H12N4S2 and molecular weight 324.05 g/mol. IUPAC: 4-phenyl-3-(3-pyrrol-1-ylthiophen-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide
Property Insights of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide
The XLogP value of 4.44909 indicates that 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.54 Ų, 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide has 1 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-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The CAS number of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is 478062-79-2.
What is the molecular formula of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular formula of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is C16H12N4S2.
What is the molecular weight of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular weight of 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is 324.05 g/mol.
Where can I buy 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
You can request a quote for 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.