1,3-Dithiolane, 2-pentyl-
TL;DR: 1,3-Dithiolane, 2-pentyl- (CAS 74585-39-0) is a chemical compound with molecular formula C8H16S2 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentyl-1,3-dithiolane
Also Known As: 2-pentyl-1,3-dithiolane, 1,3-Dithiolane, 2-pentyl-, 1-hexanal thioacetal, 2-(n-pentyl)-1,3-dithiolane, Hexanal ethane-1,2-diyldithioacetal
| Molecular Formula | C8H16S2 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 3.3728 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.06934 |
| Heavy Atoms | 10 |
| Complexity | 77.326775 |
Chemical Identifiers
| CAS Number | 74585-39-0 |
|---|---|
| SMILES | CCCCCC1SCCS1 |
Product Overview
1,3-Dithiolane, 2-pentyl- (CAS 74585-39-0), with molecular formula C8H16S2 and molecular weight 176.07 g/mol. IUPAC: 2-pentyl-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2-pentyl-
Property Insights of 1,3-Dithiolane, 2-pentyl-
The XLogP value of 3.3728 indicates that 1,3-Dithiolane, 2-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dithiolane, 2-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-pentyl- 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 1,3-Dithiolane, 2-pentyl-?
The CAS number of 1,3-Dithiolane, 2-pentyl- is 74585-39-0.
What is the molecular formula of 1,3-Dithiolane, 2-pentyl-?
The molecular formula of 1,3-Dithiolane, 2-pentyl- is C8H16S2.
What is the molecular weight of 1,3-Dithiolane, 2-pentyl-?
The molecular weight of 1,3-Dithiolane, 2-pentyl- is 176.07 g/mol.
Where can I buy 1,3-Dithiolane, 2-pentyl-?
You can request a quote for 1,3-Dithiolane, 2-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane, 2-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.