1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-
TL;DR: 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- (CAS 100673-21-0) is a chemical compound with molecular formula C13H16O2S2 and molecular weight 268.05917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexyl-2-(1,3-dithiol-2-ylidene)butane-1,3-dione
Also Known As: 1-Cyclohexyl-2-(1,3-dithiol-2-ylidene)-1,3-butanedione, 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-, 2-(1,3-Dithiol-2-ylidene)-1-cyclohexyl-1,3-butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)butane-1,3-dione, 1-Cyclohexyl-2-(2H-1,3-dithiol-2-ylidene)butane-1,3-dione
Technical Specifications
| Molecular Formula | C13H16O2S2 |
| Molecular Weight | 268.05917 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.05917 Da |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
| SMILES | CC(=O)C(=C1SC=CS1)C(=O)C2CCCCC2 |
| InChIKey | QHAKKXVLIYDHKF-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-
Property Insights of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-
The XLogP value of 3.2 indicates that 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- 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 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-. Following Lipinski's Rule of Five, 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- 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 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-?
The CAS number of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- is 100673-21-0.
What is the molecular formula of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-?
The molecular formula of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- is C13H16O2S2.
What is the molecular weight of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-?
The molecular weight of 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- is 268.05917 g/mol.
Where can I buy 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-?
You can request a quote for 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.