Diisopropyl thiomalate
TL;DR: Diisopropyl thiomalate (CAS 63979-80-6) is a chemical compound with molecular formula C10H18O4S and molecular weight 234.09258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dipropan-2-yl 2-sulfanylbutanedioate
Also Known As: Diisopropyl thiomalate, USAF ND-62, diisopropyl 2-sulfanylsuccinate, dipropan-2-yl 2-sulfanylbutanedioate, 2-mercaptosuccinic acid diisopropyl ester
Technical Specifications
| Molecular Formula | C10H18O4S |
| Molecular Weight | 234.09258 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.09258 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | CC(C)OC(=O)CC(C(=O)OC(C)C)S |
| InChIKey | SBVKAWKHZQJWKU-UHFFFAOYSA-N |
Chemical Property Profile of Diisopropyl thiomalate
Property Insights of Diisopropyl thiomalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl thiomalate. With a topological polar surface area (TPSA) of 53.6 Ų, Diisopropyl thiomalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl thiomalate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diisopropyl thiomalate?
The CAS number of Diisopropyl thiomalate is 63979-80-6.
What is the molecular formula of Diisopropyl thiomalate?
The molecular formula of Diisopropyl thiomalate is C10H18O4S.
What is the molecular weight of Diisopropyl thiomalate?
The molecular weight of Diisopropyl thiomalate is 234.09258 g/mol.
Where can I buy Diisopropyl thiomalate?
You can request a quote for Diisopropyl thiomalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisopropyl thiomalate?
Yes, CoreyChem provides custom synthesis services for Diisopropyl thiomalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.