3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- (CAS 129521-53-5) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-one
Also Known As: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-, 2,4-Dihydro-2-ethyl-4-methyl-5-(2-thienyl)-3H-1,2,4-triazol-3-one, 2-ethyl-4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-one, PHENYLAC-D-TYR(ET)-PHE-GLN-ASN-LYS-PRO-ARG-NH2, 2-Ethyl-4-methyl-5-(2-thienyl)-2H-1,2,4-triazol-3(4H)-one
Technical Specifications
| Molecular Formula | C9H11N3OS |
| Molecular Weight | 209.06229 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.06229 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | CCN1C(=O)N(C(=N1)C2=CC=CS2)C |
| InChIKey | BQJKURVSYAWFBG-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- is 129521-53-5.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- is C9H11N3OS.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- is 209.06229 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.