2-Oxocyclopentane-1-carbodithioic acid
TL;DR: 2-Oxocyclopentane-1-carbodithioic acid (CAS 57624-68-7) is a chemical compound with molecular formula C6H8OS2 and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxocyclopentane-1-carbodithioic acid
Also Known As: 2-oxocyclopentane-1-carbodithioic acid, 2-oxocyclopentanedithiocarboxylic, 2-oxocyclopentane dithiocarboxylic acid, 2-Oxocyclopentane-1-dithiocarboxylic acid, J2.638.746I
| Molecular Formula | C6H8OS2 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00166 |
| Heavy Atoms | 9 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 57624-68-7 |
|---|---|
| SMILES | C1CC(C(=O)C1)C(=S)S |
| InChIKey | HOHZONNFXVDJTG-UHFFFAOYSA-N |
Product Overview
2-Oxocyclopentane-1-carbodithioic acid (CAS 57624-68-7), with molecular formula C6H8OS2 and molecular weight 160.00 g/mol. IUPAC: 2-oxocyclopentane-1-carbodithioic acid.
Chemical Property Profile of 2-Oxocyclopentane-1-carbodithioic acid
Property Insights of 2-Oxocyclopentane-1-carbodithioic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxocyclopentane-1-carbodithioic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Oxocyclopentane-1-carbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxocyclopentane-1-carbodithioic acid has 1 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 2-Oxocyclopentane-1-carbodithioic acid?
The CAS number of 2-Oxocyclopentane-1-carbodithioic acid is 57624-68-7.
What is the molecular formula of 2-Oxocyclopentane-1-carbodithioic acid?
The molecular formula of 2-Oxocyclopentane-1-carbodithioic acid is C6H8OS2.
What is the molecular weight of 2-Oxocyclopentane-1-carbodithioic acid?
The molecular weight of 2-Oxocyclopentane-1-carbodithioic acid is 160.00 g/mol.
Where can I buy 2-Oxocyclopentane-1-carbodithioic acid?
You can request a quote for 2-Oxocyclopentane-1-carbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxocyclopentane-1-carbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxocyclopentane-1-carbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.