Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate
TL;DR: Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate (CAS 223118-33-0) is a chemical compound with molecular formula C9H15NO2S and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-sulfanylidenepyrrolidine-1-carboxylate
Also Known As: tert-butyl 2-thioxo-1-pyrrolidinecarboxylate, tert-butyl 2-sulfanylidenepyrrolidine-1-carboxylate, AP-836/41220221
| Molecular Formula | C9H15NO2S |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.3447 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.08235 |
| Heavy Atoms | 13 |
| Complexity | 232.25943 |
Chemical Identifiers
| CAS Number | 223118-33-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1=S |
Product Overview
Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate (CAS 223118-33-0), with molecular formula C9H15NO2S and molecular weight 201.08 g/mol. IUPAC: tert-butyl 2-sulfanylidenepyrrolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate
Property Insights of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate
The XLogP value of 2.3447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate has 0 hydrogen bond donor(s) and 3 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 Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate?
The CAS number of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate is 223118-33-0.
What is the molecular formula of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate?
The molecular formula of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate is C9H15NO2S.
What is the molecular weight of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate?
The molecular weight of Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate is 201.08 g/mol.
Where can I buy Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate?
You can request a quote for Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-thioxo-1-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.