Bis(1-methyl-2-oxopropyl) sulfide
TL;DR: Bis(1-methyl-2-oxopropyl) sulfide (CAS 113334-17-1) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-oxobutan-2-ylsulfanyl)butan-2-one
Also Known As: bis(1-methyl-2-oxopropyl) sulfide, 3,3'-Thiobis(2-butanone), 3,3'-thiobis(butan-2-one), 3-(3-oxobutan-2-ylsulfanyl)butan-2-one, 3-[(3-oxobutan-2-yl)sulfanyl]butan-2-one
Technical Specifications
| Molecular Formula | C8H14O2S |
| Molecular Weight | 174.07146 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.07146 Da |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| SMILES | CC(C(=O)C)SC(C)C(=O)C |
| InChIKey | YGVGCMGLHWUOCP-UHFFFAOYSA-N |
Chemical Property Profile of Bis(1-methyl-2-oxopropyl) sulfide
Property Insights of Bis(1-methyl-2-oxopropyl) sulfide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1-methyl-2-oxopropyl) sulfide. With a topological polar surface area (TPSA) of 59.4 Ų, Bis(1-methyl-2-oxopropyl) sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-methyl-2-oxopropyl) sulfide 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
What is the CAS number of Bis(1-methyl-2-oxopropyl) sulfide?
The CAS number of Bis(1-methyl-2-oxopropyl) sulfide is 113334-17-1.
What is the molecular formula of Bis(1-methyl-2-oxopropyl) sulfide?
The molecular formula of Bis(1-methyl-2-oxopropyl) sulfide is C8H14O2S.
What is the molecular weight of Bis(1-methyl-2-oxopropyl) sulfide?
The molecular weight of Bis(1-methyl-2-oxopropyl) sulfide is 174.07146 g/mol.
Where can I buy Bis(1-methyl-2-oxopropyl) sulfide?
You can request a quote for Bis(1-methyl-2-oxopropyl) sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(1-methyl-2-oxopropyl) sulfide?
Yes, CoreyChem provides custom synthesis services for Bis(1-methyl-2-oxopropyl) sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.