Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate
TL;DR: Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate (CAS 1251832-16-2) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 5-sulfanylidenepyrrolidine-1,2-dicarboxylate
Also Known As: dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate, dimethyl 5-sulfanylidenepyrrolidine-1,2-dicarboxylate, AP-836/41220240
Technical Specifications
| Molecular Formula | C8H11NO4S |
| Molecular Weight | 217.04088 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04088 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | COC(=O)C1CCC(=S)N1C(=O)OC |
| InChIKey | UYKQSXYMGJTFGR-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate
Property Insights of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate has 0 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 Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate?
The CAS number of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate is 1251832-16-2.
What is the molecular formula of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate?
The molecular formula of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate is C8H11NO4S.
What is the molecular weight of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate?
The molecular weight of Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate is 217.04088 g/mol.
Where can I buy Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate?
You can request a quote for Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 5-thioxo-1,2-pyrrolidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.