2-Benzylidene-4-phenyl-1,3-dithiole
TL;DR: 2-Benzylidene-4-phenyl-1,3-dithiole (CAS 15995-11-6) is a chemical compound with molecular formula C16H12S2 and molecular weight 268.03806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylidene-4-phenyl-1,3-dithiole
Also Known As: 2-benzylidene-4-phenyl-1,3-dithiole, 1-Phenyl-4-benzal-3,5-dithiacyclopenten, (2Z)-2-benzylidene-4-phenyl-1,3-dithiole, 1,3-Dithiole,4-phenyl-2-(phenylmethylene)-
Technical Specifications
| Molecular Formula | C16H12S2 |
| Molecular Weight | 268.03806 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03806 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | C1=CC=C(C=C1)C=C2SC=C(S2)C3=CC=CC=C3 |
| InChIKey | YFUMLIHULJCSOF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzylidene-4-phenyl-1,3-dithiole
Property Insights of 2-Benzylidene-4-phenyl-1,3-dithiole
The XLogP value of 5.0 indicates that 2-Benzylidene-4-phenyl-1,3-dithiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-Benzylidene-4-phenyl-1,3-dithiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-4-phenyl-1,3-dithiole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzylidene-4-phenyl-1,3-dithiole?
The CAS number of 2-Benzylidene-4-phenyl-1,3-dithiole is 15995-11-6.
What is the molecular formula of 2-Benzylidene-4-phenyl-1,3-dithiole?
The molecular formula of 2-Benzylidene-4-phenyl-1,3-dithiole is C16H12S2.
What is the molecular weight of 2-Benzylidene-4-phenyl-1,3-dithiole?
The molecular weight of 2-Benzylidene-4-phenyl-1,3-dithiole is 268.03806 g/mol.
Where can I buy 2-Benzylidene-4-phenyl-1,3-dithiole?
You can request a quote for 2-Benzylidene-4-phenyl-1,3-dithiole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzylidene-4-phenyl-1,3-dithiole?
Yes, CoreyChem provides custom synthesis services for 2-Benzylidene-4-phenyl-1,3-dithiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.