1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-
TL;DR: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- (CAS 106971-42-0) is a chemical compound with molecular formula C17H12O2S2 and molecular weight 312.02786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-dithiol-2-ylidene)-1-naphthalen-1-ylbutane-1,3-dione
Also Known As: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-, 2-(1,3-Dithiol-2-ylidene)-1-(1-naphthyl)-1,3-butanedione, 2-(1,3-Dithiol-2-ylidene)-1-(1-naphthalenyl)-1,3-butanedione, 2-(1,3-dithiol-2-ylidene)-1-naphthalen-1-ylbutane-1,3-dione, 2-(2H-1,3-Dithiol-2-ylidene)-1-(naphthalen-1-yl)butane-1,3-dione
Technical Specifications
| Molecular Formula | C17H12O2S2 |
| Molecular Weight | 312.02786 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.02786 Da |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
| SMILES | CC(=O)C(=C1SC=CS1)C(=O)C2=CC=CC3=CC=CC=C32 |
| InChIKey | HLAFALSFIDTPFK-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-
Property Insights of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-
The XLogP value of 4.0 indicates that 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- 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, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-. Following Lipinski's Rule of Five, 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- 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, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
The CAS number of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- is 106971-42-0.
What is the molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
The molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- is C17H12O2S2.
What is the molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
The molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- is 312.02786 g/mol.
Where can I buy 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
You can request a quote for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.