1,5-Dithiocan-3-one
TL;DR: 1,5-Dithiocan-3-one (CAS 39958-62-8) is a chemical compound with molecular formula C6H10OS2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dithiocan-3-one
Also Known As: 1,5-dithiocan-3-one, 1,5-Dithiacyclooctan-3-one
| Molecular Formula | C6H10OS2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | 1.4256 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0173 |
| Heavy Atoms | 9 |
| Complexity | 93.23098 |
Chemical Identifiers
| CAS Number | 39958-62-8 |
|---|---|
| SMILES | C1CSCC(=O)CSC1 |
Product Overview
1,5-Dithiocan-3-one (CAS 39958-62-8), with molecular formula C6H10OS2 and molecular weight 162.02 g/mol. IUPAC: 1,5-dithiocan-3-one.
Chemical Property Profile of 1,5-Dithiocan-3-one
Property Insights of 1,5-Dithiocan-3-one
The XLogP value of 1.4256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dithiocan-3-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1,5-Dithiocan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dithiocan-3-one 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 1,5-Dithiocan-3-one?
The CAS number of 1,5-Dithiocan-3-one is 39958-62-8.
What is the molecular formula of 1,5-Dithiocan-3-one?
The molecular formula of 1,5-Dithiocan-3-one is C6H10OS2.
What is the molecular weight of 1,5-Dithiocan-3-one?
The molecular weight of 1,5-Dithiocan-3-one is 162.02 g/mol.
Where can I buy 1,5-Dithiocan-3-one?
You can request a quote for 1,5-Dithiocan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dithiocan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dithiocan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.