3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide
TL;DR: 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide (CAS 50802-49-8) is a chemical compound with molecular formula C10H16O4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-1,1-dioxothiepane-4,5-dione
Also Known As: 4-Methyl-4-phenylmercapto-pentan-2-on, 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide, 3,3,6,6-tetramethylthiepane-4,5-dione 1,1-dioxide, 3,3,6,6-tetramethyl-1,1-dioxothiepane-4,5-dione, 3,3,6,6-tetramethyl-1,1-dioxo-thiepane-4,5-dione
| Molecular Formula | C10H16O4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.07693 |
| Heavy Atoms | 15 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 50802-49-8 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC(C(=O)C1=O)(C)C)C |
| InChIKey | IPNVHWMQWHXLGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide (CAS 50802-49-8), with molecular formula C10H16O4S and molecular weight 232.08 g/mol. IUPAC: 3,3,6,6-tetramethyl-1,1-dioxothiepane-4,5-dione.
Chemical Property Profile of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide
Property Insights of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide. Following Lipinski's Rule of Five, 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide 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 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide?
The CAS number of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide is 50802-49-8.
What is the molecular formula of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide?
The molecular formula of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide is C10H16O4S.
What is the molecular weight of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide?
The molecular weight of 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide is 232.08 g/mol.
Where can I buy 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide?
You can request a quote for 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.