2,2,4,4-Tetramethylthietan-3-one
TL;DR: 2,2,4,4-Tetramethylthietan-3-one (CAS 59208-47-8) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,4-tetramethylthietan-3-one
Also Known As: 2,2,4,4-tetramethylthietan-3-one, tetramethylthietan-3-one, 2,2,4,4-TETRAMETHYL-3-THIETANONE, 2,2,4,4-tetramethyl-3-oxothietane, 6118AE
| Molecular Formula | C7H12OS |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 59208-47-8 |
|---|---|
| SMILES | CC1(C(=O)C(S1)(C)C)C |
| InChIKey | RDTYEOXWKJSNTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4,4-Tetramethylthietan-3-one (CAS 59208-47-8), with molecular formula C7H12OS and molecular weight 144.06 g/mol. IUPAC: 2,2,4,4-tetramethylthietan-3-one.
Chemical Property Profile of 2,2,4,4-Tetramethylthietan-3-one
Property Insights of 2,2,4,4-Tetramethylthietan-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4,4-Tetramethylthietan-3-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2,2,4,4-Tetramethylthietan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,4-Tetramethylthietan-3-one 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 2,2,4,4-Tetramethylthietan-3-one?
The CAS number of 2,2,4,4-Tetramethylthietan-3-one is 59208-47-8.
What is the molecular formula of 2,2,4,4-Tetramethylthietan-3-one?
The molecular formula of 2,2,4,4-Tetramethylthietan-3-one is C7H12OS.
What is the molecular weight of 2,2,4,4-Tetramethylthietan-3-one?
The molecular weight of 2,2,4,4-Tetramethylthietan-3-one is 144.06 g/mol.
Where can I buy 2,2,4,4-Tetramethylthietan-3-one?
You can request a quote for 2,2,4,4-Tetramethylthietan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,4-Tetramethylthietan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,4-Tetramethylthietan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.