4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 525581-59-3) is a chemical compound with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 15386379, 4-(2-phenylethyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione, 4-(2-phenylethyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol, 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 4-phenethyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H13N3S2 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.05508 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 525581-59-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=CS3 |
| InChIKey | LJYFFCVWGYUOHC-UHFFFAOYSA-N |
Product Overview
4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 525581-59-3), with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol. IUPAC: 4-(2-phenylethyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.6 indicates that 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2-phenylethyl)-5-(thiophen-2-yl)-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 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 525581-59-3.
What is the molecular formula of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is C14H13N3S2.
What is the molecular weight of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 287.06 g/mol.
Where can I buy 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-phenylethyl)-5-(thiophen-2-yl)-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 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.