3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- (CAS 117258-29-4) is a chemical compound with molecular formula C7H7N3OS and molecular weight 181.03099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-thiophen-2-yl-1H-1,2,4-triazol-5-one
Also Known As: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-, 4-methyl-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazol-5-one, 2,4-Dihydro-4-methyl-5-(2-thienyl)-3H-1,2,4-triazol-3-one, 4-Methyl-5-(2-thienyl)-2H-1,2,4-triazol-3(4H)-one
Technical Specifications
| Molecular Formula | C7H7N3OS |
| Molecular Weight | 181.03099 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.03099 Da |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
| SMILES | CN1C(=NNC1=O)C2=CC=CS2 |
| InChIKey | RGXRZHGPTUWEOH-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- 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
What is the CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- is 117258-29-4.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- is C7H7N3OS.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- is 181.03099 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-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-4-methyl-5-(2-thienyl)-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.