![5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol structure](/static/products/4778/477869-75-3.webp)
5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 477869-75-3) is a chemical compound with molecular formula C16H15N3S2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 1P-695S, 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 4-ethyl-5-{4H,5H-naphtho[1,2-b]thiophen-2-yl}-4H-1,2,4-triazole-3-thiol, 3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione, 3-(4,5-dihydrobenzo[g]benzothiophen-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H15N3S2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 4.45469 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.07074 |
| Heavy Atoms | 21 |
| Complexity | 869.7771 |
Chemical Identifiers
| CAS Number | 477869-75-3 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC3=C(S2)C4=CC=CC=C4CC3 |
Product Overview
5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 477869-75-3), with molecular formula C16H15N3S2 and molecular weight 313.07 g/mol. IUPAC: 3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.45469 indicates that 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol 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 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 477869-75-3.
What is the molecular formula of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is C16H15N3S2.
What is the molecular weight of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 313.07 g/mol.
Where can I buy 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-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-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.