3-Methyl-4-oxo-1,2-dithiane
TL;DR: 3-Methyl-4-oxo-1,2-dithiane (CAS 90238-76-9) is a chemical compound with molecular formula C5H8OS2 and molecular weight 148.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyldithian-4-one
Also Known As: 3-methyl-4-oxo-1,2-dithiane, 3-methyldithian-4-one, 3-methyl-1,2-dithian-4-one, 1,2-Dithian, 3-methyl-4-oxo, 1,2-Dithian-4-one, 3-methyl
| Molecular Formula | C5H8OS2 |
|---|---|
| Molecular Weight | 148.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.00166 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 90238-76-9 |
|---|---|
| SMILES | CC1C(=O)CCSS1 |
| InChIKey | HIPRPYCXKYSMOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-oxo-1,2-dithiane (CAS 90238-76-9), with molecular formula C5H8OS2 and molecular weight 148.00 g/mol. IUPAC: 3-methyldithian-4-one.
Chemical Property Profile of 3-Methyl-4-oxo-1,2-dithiane
Property Insights of 3-Methyl-4-oxo-1,2-dithiane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-oxo-1,2-dithiane. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-oxo-1,2-dithiane. Following Lipinski's Rule of Five, 3-Methyl-4-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 3-Methyl-4-oxo-1,2-dithiane?
The CAS number of 3-Methyl-4-oxo-1,2-dithiane is 90238-76-9.
What is the molecular formula of 3-Methyl-4-oxo-1,2-dithiane?
The molecular formula of 3-Methyl-4-oxo-1,2-dithiane is C5H8OS2.
What is the molecular weight of 3-Methyl-4-oxo-1,2-dithiane?
The molecular weight of 3-Methyl-4-oxo-1,2-dithiane is 148.00 g/mol.
Where can I buy 3-Methyl-4-oxo-1,2-dithiane?
You can request a quote for 3-Methyl-4-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 3-Methyl-4-oxo-1,2-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-oxo-1,2-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.