2-(4-Phenyldithiol-3-ylidene)acetaldehyde
TL;DR: 2-(4-Phenyldithiol-3-ylidene)acetaldehyde (CAS 5260-99-1) is a chemical compound with molecular formula C11H8OS2 and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenyldithiol-3-ylidene)acetaldehyde
Also Known As: 3,5-Epidithio-4-phenyl-penta-2,4-dienal
| Molecular Formula | C11H8OS2 |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.00166 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5260-99-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSSC2=CC=O |
| InChIKey | BQYGXMYQOMDRIA-UHFFFAOYSA-N |
Product Overview
2-(4-Phenyldithiol-3-ylidene)acetaldehyde (CAS 5260-99-1), with molecular formula C11H8OS2 and molecular weight 220.00 g/mol. IUPAC: 2-(4-phenyldithiol-3-ylidene)acetaldehyde.
Chemical Property Profile of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde
Property Insights of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Phenyldithiol-3-ylidene)acetaldehyde. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Phenyldithiol-3-ylidene)acetaldehyde. Following Lipinski's Rule of Five, 2-(4-Phenyldithiol-3-ylidene)acetaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde?
The CAS number of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde is 5260-99-1.
What is the molecular formula of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde?
The molecular formula of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde is C11H8OS2.
What is the molecular weight of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde?
The molecular weight of 2-(4-Phenyldithiol-3-ylidene)acetaldehyde is 220.00 g/mol.
Where can I buy 2-(4-Phenyldithiol-3-ylidene)acetaldehyde?
You can request a quote for 2-(4-Phenyldithiol-3-ylidene)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Phenyldithiol-3-ylidene)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Phenyldithiol-3-ylidene)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.