Ethyl 2-thioxocyclopentanecarboxylate
TL;DR: Ethyl 2-thioxocyclopentanecarboxylate (CAS 20632-95-5) is a chemical compound with molecular formula C8H12O2S and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-sulfanylidenecyclopentane-1-carboxylate
Also Known As: Ethyl 2-thioxocyclopentanecarboxylate, ethyl 2-sulfanylidenecyclopentane-1-carboxylate, Ethyl 2-thioxocyclopentanecarboxylate #, 2-thioxo-cyclopentanecarboxylic acid ethyl ester, 2-Thioxocyclopentane-1-carboxylicacidethylester
| Molecular Formula | C8H12O2S |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.0558 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 20632-95-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCC1=S |
| InChIKey | MZUDKMRTKVDEOY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-thioxocyclopentanecarboxylate (CAS 20632-95-5), with molecular formula C8H12O2S and molecular weight 172.06 g/mol. IUPAC: ethyl 2-sulfanylidenecyclopentane-1-carboxylate.
Chemical Property Profile of Ethyl 2-thioxocyclopentanecarboxylate
Property Insights of Ethyl 2-thioxocyclopentanecarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-thioxocyclopentanecarboxylate. With a topological polar surface area (TPSA) of 58.4 Ų, Ethyl 2-thioxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-thioxocyclopentanecarboxylate 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 Ethyl 2-thioxocyclopentanecarboxylate?
The CAS number of Ethyl 2-thioxocyclopentanecarboxylate is 20632-95-5.
What is the molecular formula of Ethyl 2-thioxocyclopentanecarboxylate?
The molecular formula of Ethyl 2-thioxocyclopentanecarboxylate is C8H12O2S.
What is the molecular weight of Ethyl 2-thioxocyclopentanecarboxylate?
The molecular weight of Ethyl 2-thioxocyclopentanecarboxylate is 172.06 g/mol.
Where can I buy Ethyl 2-thioxocyclopentanecarboxylate?
You can request a quote for Ethyl 2-thioxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-thioxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-thioxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.