Cyclopentanone ethylene dithioketal
TL;DR: Cyclopentanone ethylene dithioketal (CAS 176-39-6) is a chemical compound with molecular formula C7H12S2 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiaspiro[4.4]nonane
Also Known As: 1,4-dithiaspiro[4.4]nonane, Cyclopentanone ethylene dithioketal, Cyclopentanone ethylene dithioacetal, 1,4-DITHIASPIRO(4.4)NONANE, 1,4-dithiaspiro[4.4]nonan
| Molecular Formula | C7H12S2 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.03804 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 176-39-6 |
|---|---|
| SMILES | C1CCC2(C1)SCCS2 |
| InChIKey | PQILQFSSQOQLEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentanone ethylene dithioketal (CAS 176-39-6), with molecular formula C7H12S2 and molecular weight 160.04 g/mol. IUPAC: 1,4-dithiaspiro[4.4]nonane.
Chemical Property Profile of Cyclopentanone ethylene dithioketal
Property Insights of Cyclopentanone ethylene dithioketal
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanone ethylene dithioketal. With a topological polar surface area (TPSA) of 50.6 Ų, Cyclopentanone ethylene dithioketal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanone ethylene dithioketal has 0 hydrogen bond donor(s) and 2 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 Cyclopentanone ethylene dithioketal?
The CAS number of Cyclopentanone ethylene dithioketal is 176-39-6.
What is the molecular formula of Cyclopentanone ethylene dithioketal?
The molecular formula of Cyclopentanone ethylene dithioketal is C7H12S2.
What is the molecular weight of Cyclopentanone ethylene dithioketal?
The molecular weight of Cyclopentanone ethylene dithioketal is 160.04 g/mol.
Where can I buy Cyclopentanone ethylene dithioketal?
You can request a quote for Cyclopentanone ethylene dithioketal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanone ethylene dithioketal?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanone ethylene dithioketal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.