1,3-二硫杂环戊烷-2-甲酸乙酯
TL;DR: 1,3-二硫杂环戊烷-2-甲酸乙酯 (CAS 20461-99-8) is a chemical compound with molecular formula C6H10O2S2 and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二硫杂环戊烷-2-甲酸乙酯
ethyl 1,3-dithiolane-2-carboxylate
Also Known As: Ethyl 1,3-dithiolane-2-carboxylate, 2-Carboethoxydithiolane, 2Carboethoxy1,3dithiolane, 1,3-Dithiolane-2-carboxylic acid, ethyl ester, 2-Carboethoxy-1,3-dithiolane
| Molecular Formula | C6H10O2S2 |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.01222 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 20461-99-8 |
|---|---|
| SMILES | CCOC(=O)C1SCCS1 |
| InChIKey | OMCSHTHLIQOHDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二硫杂环戊烷-2-甲酸乙酯 (CAS 20461-99-8), with molecular formula C6H10O2S2 and molecular weight 178.01 g/mol. IUPAC: ethyl 1,3-dithiolane-2-carboxylate.
Chemical Property Profile of 1,3-二硫杂环戊烷-2-甲酸乙酯
Property Insights of 1,3-二硫杂环戊烷-2-甲酸乙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二硫杂环戊烷-2-甲酸乙酯. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二硫杂环戊烷-2-甲酸乙酯. Following Lipinski's Rule of Five, 1,3-二硫杂环戊烷-2-甲酸乙酯 has 0 hydrogen bond donor(s) and 4 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 1,3-二硫杂环戊烷-2-甲酸乙酯?
The CAS number of 1,3-二硫杂环戊烷-2-甲酸乙酯 is 20461-99-8.
What is the molecular formula of 1,3-二硫杂环戊烷-2-甲酸乙酯?
The molecular formula of 1,3-二硫杂环戊烷-2-甲酸乙酯 is C6H10O2S2.
What is the molecular weight of 1,3-二硫杂环戊烷-2-甲酸乙酯?
The molecular weight of 1,3-二硫杂环戊烷-2-甲酸乙酯 is 178.01 g/mol.
Where can I buy 1,3-二硫杂环戊烷-2-甲酸乙酯?
You can request a quote for 1,3-二硫杂环戊烷-2-甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二硫杂环戊烷-2-甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二硫杂环戊烷-2-甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.