5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide
TL;DR: 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide (CAS 1052526-91-6) is a chemical compound with molecular formula C9H12BrN3O3S and molecular weight 320.97827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]oxolan-2-one;hydrobromide
Also Known As: 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide, 5-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]oxolan-2-one hydrobromide
Technical Specifications
| Molecular Formula | C9H12BrN3O3S |
| Molecular Weight | 320.97827 g/mol |
| XLogP | 1.1395 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.97827 Da |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
| SMILES | CC1(CCC(=O)O1)C(=O)CSC2=NC=NN2.Br |
| InChIKey | KUXJGZBDHZOAKH-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide
Property Insights of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide
The XLogP value of 1.1395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide. Following Lipinski's Rule of Five, 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide?
The CAS number of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide is 1052526-91-6.
What is the molecular formula of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide?
The molecular formula of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide is C9H12BrN3O3S.
What is the molecular weight of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide?
The molecular weight of 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide is 320.97827 g/mol.
Where can I buy 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide?
You can request a quote for 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide?
Yes, CoreyChem provides custom synthesis services for 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetyl)-5-methyldihydrofuran-2(3H)-one hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.