![[1,3]Dithiolo[4,5-d][1,3]dithiol-5-one structure](/static/products/128/128347-04-6.webp)
[1,3]Dithiolo[4,5-d][1,3]dithiol-5-one
TL;DR: [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one (CAS 128347-04-6) is a chemical compound with molecular formula C4H2OS4 and molecular weight 193.89885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
Also Known As: 4,5-Methylenedithio-1,3-dithiol-2-one, [1,3]dithiolo[4,5-d][1,3]dithiol-5-one, 4-(4-methylpiperazin-1-yl)benzonitrile, 2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one, [1,3]dithiolo[4,5-d][1,3]dithiol-2-one
Technical Specifications
| Molecular Formula | C4H2OS4 |
| Molecular Weight | 193.89885 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.89885 Da |
| Heavy Atoms | 9 |
| Complexity | 179.0 |
| SMILES | C1SC2=C(S1)SC(=O)S2 |
| InChIKey | VBZVKFOMXXSGFB-UHFFFAOYSA-N |
Chemical Property Profile of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one
Property Insights of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one. Following Lipinski's Rule of Five, [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one has 0 hydrogen bond donor(s) and 5 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]Dithiolo[4,5-d][1,3]dithiol-5-one?
The CAS number of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one is 128347-04-6.
What is the molecular formula of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one?
The molecular formula of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one is C4H2OS4.
What is the molecular weight of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one?
The molecular weight of [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one is 193.89885 g/mol.
Where can I buy [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one?
You can request a quote for [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one?
Yes, CoreyChem provides custom synthesis services for [1,3]Dithiolo[4,5-d][1,3]dithiol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.