3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione
TL;DR: 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione (CAS 160300-24-3) is a chemical compound with molecular formula C10H14O2S2 and molecular weight 230.04352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione
Also Known As: 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione, 2,4-Pentanedione,3-(1,3-dithiepan-2-ylidene), 2,4-Pentanedione, 3-(1,3-dithiepan-2-ylidene)-
Technical Specifications
| Molecular Formula | C10H14O2S2 |
| Molecular Weight | 230.04352 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.04352 Da |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
| SMILES | CC(=O)C(=C1SCCCCS1)C(=O)C |
| InChIKey | DZGWEYSXYAPRBY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione
Property Insights of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(1,3-dithiepan-2-ylidene)pentane-2,4-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
What is the CAS number of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione?
The CAS number of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione is 160300-24-3.
What is the molecular formula of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione?
The molecular formula of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione is C10H14O2S2.
What is the molecular weight of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione?
The molecular weight of 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione is 230.04352 g/mol.
Where can I buy 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione?
You can request a quote for 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.