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 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C7H7N3OS |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 0.8369 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.03099 |
| Heavy Atoms | 12 |
| Complexity | 425.69614 |
Chemical Identifiers
| CAS Number | 117258-29-4 |
|---|---|
| SMILES | CN1C(=NNC1=O)C2=CC=CS2 |
Product Overview
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- (CAS 117258-29-4), with molecular formula C7H7N3OS and molecular weight 181.03 g/mol. IUPAC: 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazol-5-one.
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 0.8369 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)-. With a topological polar surface area (TPSA) of 50.68 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 181.03 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-?
Yes, KEHONG BIO 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.