4-Dithiane
TL;DR: 4-Dithiane (CAS 17547-93-2) is a chemical compound with molecular formula C4H6S2 and molecular weight 117.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dihydrodithiine
Also Known As: 4-dithiane, 3,6-dihydrodithiine, 3,6-dihydro-[1,2]dithiine, 3,6-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiine
| Molecular Formula | C4H6S2 |
|---|---|
| Molecular Weight | 117.99 g/mol |
| LogP | 1.9376 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.99109 |
| Heavy Atoms | 6 |
| Complexity | 50.568424 |
Chemical Identifiers
| CAS Number | 17547-93-2 |
|---|---|
| SMILES | C1C=CCSS1 |
Product Overview
4-Dithiane (CAS 17547-93-2), with molecular formula C4H6S2 and molecular weight 117.99 g/mol. IUPAC: 3,6-dihydrodithiine.
Chemical Property Profile of 4-Dithiane
Property Insights of 4-Dithiane
The XLogP value of 1.9376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Dithiane. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dithiane 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 4-Dithiane?
The CAS number of 4-Dithiane is 17547-93-2.
What is the molecular formula of 4-Dithiane?
The molecular formula of 4-Dithiane is C4H6S2.
What is the molecular weight of 4-Dithiane?
The molecular weight of 4-Dithiane is 117.99 g/mol.
Where can I buy 4-Dithiane?
You can request a quote for 4-Dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dithiane?
Yes, KEHONG BIO provides custom synthesis services for 4-Dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.