![3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione structure](/static/products/7048/704875-71-8.webp)
3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione
TL;DR: 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione (CAS 704875-71-8) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thiolane 1,1-dioxide
Also Known As: BAS 14051253, 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione, A3687/0156422, 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thiolane 1,1-dioxide, 2-{[(1,1-dioxidotetrahydro-3-thienyl)thio]methyl}-5-phenyl-1,3,4-oxadiazole
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.1569 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 682.6517 |
Chemical Identifiers
| CAS Number | 704875-71-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1SCC2=NN=C(O2)C3=CC=CC=C3 |
Product Overview
3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione (CAS 704875-71-8), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thiolane 1,1-dioxide.
Chemical Property Profile of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione
Property Insights of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione
The XLogP value of 2.1569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione. The TPSA of 73.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione. Following Lipinski's Rule of Five, 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione has 0 hydrogen bond donor(s) and 6 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-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione?
The CAS number of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione is 704875-71-8.
What is the molecular formula of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione?
The molecular formula of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione is C13H14N2O3S2.
What is the molecular weight of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione?
The molecular weight of 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione is 310.04 g/mol.
Where can I buy 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione?
You can request a quote for 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylthio]thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.