4,6-Cinnolinedithiol
TL;DR: 4,6-Cinnolinedithiol (CAS 105901-89-1) is a chemical compound with molecular formula C8H6N2S2 and molecular weight 193.99724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-sulfanyl-1H-cinnoline-4-thione
Also Known As: 4,6-Cinnolinedithiol, cinnoline-4,6-dithiol, NCIOpen2_000146, 4,6-Dimethoxy-2-naphthoic acid, 6-mercaptocinnoline-4(1H)-thione
Technical Specifications
| Molecular Formula | C8H6N2S2 |
| Molecular Weight | 193.99724 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.99724 Da |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
| SMILES | C1=CC2=C(C=C1S)C(=S)C=NN2 |
| InChIKey | GUHCAUVWTGZWOL-UHFFFAOYSA-N |
Chemical Property Profile of 4,6-Cinnolinedithiol
Property Insights of 4,6-Cinnolinedithiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Cinnolinedithiol. With a topological polar surface area (TPSA) of 57.5 Ų, 4,6-Cinnolinedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Cinnolinedithiol has 2 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 4,6-Cinnolinedithiol?
The CAS number of 4,6-Cinnolinedithiol is 105901-89-1.
What is the molecular formula of 4,6-Cinnolinedithiol?
The molecular formula of 4,6-Cinnolinedithiol is C8H6N2S2.
What is the molecular weight of 4,6-Cinnolinedithiol?
The molecular weight of 4,6-Cinnolinedithiol is 193.99724 g/mol.
Where can I buy 4,6-Cinnolinedithiol?
You can request a quote for 4,6-Cinnolinedithiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Cinnolinedithiol?
Yes, CoreyChem provides custom synthesis services for 4,6-Cinnolinedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.