![2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione structure](/static/products/1174/117402-14-9.webp)
2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione (CAS 117402-14-9) is a chemical compound with molecular formula C23H24O2S2 and molecular weight 396.12177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(benzylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: J1.214.139D, 2-[bis(benzylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione, 2-[Bis(benzylthio)methylene]-5,5-dimethyl-1,3-cyclohexanedione, 2-[Bis(benzylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione, 2-{bis(benzylthio)methylene}-5,5-dimethylcyclohexane-1,3-dione
Technical Specifications
| Molecular Formula | C23H24O2S2 |
| Molecular Weight | 396.12177 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.12177 Da |
| Heavy Atoms | 27 |
| Complexity | 521.0 |
| SMILES | CC1(CC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)C1)C |
| InChIKey | UIHVPDTXXZBGHT-UHFFFAOYSA-N |
Chemical Property Profile of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 5.3 indicates that 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione. Following Lipinski's Rule of Five, 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione is 117402-14-9.
What is the molecular formula of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione is C23H24O2S2.
What is the molecular weight of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione is 396.12177 g/mol.
Where can I buy 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-[Bis(phenylmethylthio)methylene]-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.