1,1-Dioxothionane-3,8-dione
TL;DR: 1,1-Dioxothionane-3,8-dione (CAS 71138-48-2) is a chemical compound with molecular formula C8H12O4S and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxothionane-3,8-dione
Also Known As: 1,1-dioxothionane-3,8-dione, 1,1-Dioxo-I>>6-thionane-3,8-dione, 1lambda~6~-Thionane-1,1,3,8-tetrone, RefChem:214046
| Molecular Formula | C8H12O4S |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.04562 |
| Heavy Atoms | 13 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 71138-48-2 |
|---|---|
| SMILES | C1CCC(=O)CS(=O)(=O)CC(=O)C1 |
| InChIKey | MGVMHUSHYKUBPO-UHFFFAOYSA-N |
Product Overview
1,1-Dioxothionane-3,8-dione (CAS 71138-48-2), with molecular formula C8H12O4S and molecular weight 204.05 g/mol. IUPAC: 1,1-dioxothionane-3,8-dione.
Chemical Property Profile of 1,1-Dioxothionane-3,8-dione
Property Insights of 1,1-Dioxothionane-3,8-dione
The XLogP value of -0.4 indicates that 1,1-Dioxothionane-3,8-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxothionane-3,8-dione. Following Lipinski's Rule of Five, 1,1-Dioxothionane-3,8-dione has 0 hydrogen bond donor(s) and 4 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 1,1-Dioxothionane-3,8-dione?
The CAS number of 1,1-Dioxothionane-3,8-dione is 71138-48-2.
What is the molecular formula of 1,1-Dioxothionane-3,8-dione?
The molecular formula of 1,1-Dioxothionane-3,8-dione is C8H12O4S.
What is the molecular weight of 1,1-Dioxothionane-3,8-dione?
The molecular weight of 1,1-Dioxothionane-3,8-dione is 204.05 g/mol.
Where can I buy 1,1-Dioxothionane-3,8-dione?
You can request a quote for 1,1-Dioxothionane-3,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxothionane-3,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxothionane-3,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.