Isoprothiolane
TL;DR: Isoprothiolane (CAS 50512-35-1) is a chemical compound with molecular formula C12H18O4S2 and molecular weight 290.06464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate
Also Known As: ISOPROTHIOLANE, Fudiolan, Fujione, Fuji-one, Fuji 1
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18O4S2 |
| Molecular Weight | 290.06464 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.06464 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| Melting Point | 50 - 54.5 °C |
| Solubility | 0.054 mg/mL at 25 °C |
| SMILES | CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C |
| InChIKey | UFHLMYOGRXOCSL-UHFFFAOYSA-N |
Chemical Property Profile of Isoprothiolane
Property Insights of Isoprothiolane
The XLogP value of 3.3 indicates that Isoprothiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoprothiolane. Following Lipinski's Rule of Five, Isoprothiolane 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
What is the CAS number of Isoprothiolane?
The CAS number of Isoprothiolane is 50512-35-1.
What is the molecular formula of Isoprothiolane?
The molecular formula of Isoprothiolane is C12H18O4S2.
What is the molecular weight of Isoprothiolane?
The molecular weight of Isoprothiolane is 290.06464 g/mol.
Where can I buy Isoprothiolane?
You can request a quote for Isoprothiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoprothiolane?
Yes, CoreyChem provides custom synthesis services for Isoprothiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.