4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 590376-41-3) is a chemical compound with molecular formula C12H15N3S and molecular weight 233.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol, ART-CHEM-BBB018026, TIMTEC-BB SBB009431, ART-CHEM-BB B018026, BAS 08311778
| Molecular Formula | C12H15N3S |
|---|---|
| Molecular Weight | 233.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.09866 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 590376-41-3 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CCC2=CC=CC=C2 |
| InChIKey | IHABNHSBRZLTSX-UHFFFAOYSA-N |
Product Overview
4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 590376-41-3), with molecular formula C12H15N3S and molecular weight 233.10 g/mol. IUPAC: 4-ethyl-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 59.7 Ų, 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 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-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 590376-41-3.
What is the molecular formula of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C12H15N3S.
What is the molecular weight of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 233.10 g/mol.
Where can I buy 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-5-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.