1-Oxo-1,2-dithiane
TL;DR: 1-Oxo-1,2-dithiane (CAS 92424-67-4) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dithiane 1-oxide
Also Known As: dithiane 1-oxide, 1-Oxo-1,2-dithiane, dithiane oxide, 1,2-Dithiane, 1-oxide, 1,2-Dithiane 1-oxide
| Molecular Formula | C4H8OS2 |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.00166 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 92424-67-4 |
|---|---|
| SMILES | C1CCS(=O)SC1 |
| InChIKey | CDZSUWIIEXAAET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxo-1,2-dithiane (CAS 92424-67-4), with molecular formula C4H8OS2 and molecular weight 136.00 g/mol. IUPAC: dithiane 1-oxide.
Chemical Property Profile of 1-Oxo-1,2-dithiane
Property Insights of 1-Oxo-1,2-dithiane
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1,2-dithiane. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1,2-dithiane. Following Lipinski's Rule of Five, 1-Oxo-1,2-dithiane 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-Oxo-1,2-dithiane?
The CAS number of 1-Oxo-1,2-dithiane is 92424-67-4.
What is the molecular formula of 1-Oxo-1,2-dithiane?
The molecular formula of 1-Oxo-1,2-dithiane is C4H8OS2.
What is the molecular weight of 1-Oxo-1,2-dithiane?
The molecular weight of 1-Oxo-1,2-dithiane is 136.00 g/mol.
Where can I buy 1-Oxo-1,2-dithiane?
You can request a quote for 1-Oxo-1,2-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1,2-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1,2-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.