3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- (CAS 114058-89-8) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-, 4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione, 2,4-Dihydro-4-ethyl-2-methyl-5-phenyl-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione,4-ethyl-2,4-dihydro-2-methyl-5-phenyl-, 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-ethyl-2-methyl-5-phenyl
Technical Specifications
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.08302 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08302 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | CCN1C(=NN(C1=S)C)C2=CC=CC=C2 |
| InChIKey | ADEUINFOYLGADE-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 50.9 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- has 0 hydrogen bond donor(s) and 2 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-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- is 114058-89-8.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- is C11H13N3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- is 219.08302 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.