![3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone structure](/static/products/479/479546-55-9.png)
3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone
TL;DR: 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone (CAS 479546-55-9) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one
Also Known As: A3403/0144309, 2-(5-mercapto-1,2,4-triazol-3-ylmethyl)-4-methyl-4-pentanolide, 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone, 3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-5,5-dimethyldihydrofuran-2(3H)-one, 5,5-dimethyl-3-[(5-sulfanyl(4H-1,2,4-triazol-3-yl))methyl]-3,4,5-trihydrofuran -2-one
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.35149 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 434.5659 |
Chemical Identifiers
| CAS Number | 479546-55-9 |
|---|---|
| SMILES | CC1(CC(C(=O)O1)CC2=NC(=S)NN2)C |
Product Overview
3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone (CAS 479546-55-9), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: 5,5-dimethyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one.
Chemical Property Profile of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone
Property Insights of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone
The XLogP value of 1.35149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone. Following Lipinski's Rule of Five, 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone has 2 hydrogen bond donor(s) and 4 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 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone?
The CAS number of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone is 479546-55-9.
What is the molecular formula of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone?
The molecular formula of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone is C9H13N3O2S.
What is the molecular weight of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone?
The molecular weight of 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone is 227.07 g/mol.
Where can I buy 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone?
You can request a quote for 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-mercapto-4H-1,2,4-triazol-3-yl)methyl]-5,5-dimethyldihydro-2(3H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.