![1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone structure](/static/products/2210/221001-92-9.webp)
1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
TL;DR: 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone (CAS 221001-92-9) is a chemical compound with molecular formula C15H15NOS3 and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 00096161, 1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 1-(4,4,6-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone, 5-acetyl-4,4,6-trimethyl-1-thioxo-4,5-dihydro-1,2-dithioleno[5,4-c]quinoline
| Molecular Formula | C15H15NOS3 |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.0316 |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 221001-92-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)C)(C)C)SSC3=S |
| InChIKey | GQHUOIXNQSBXJU-UHFFFAOYSA-N |
Product Overview
1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone (CAS 221001-92-9), with molecular formula C15H15NOS3 and molecular weight 321.03 g/mol. IUPAC: 1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Property Insights of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone?
The CAS number of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone is 221001-92-9.
What is the molecular formula of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone?
The molecular formula of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone is C15H15NOS3.
What is the molecular weight of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone?
The molecular weight of 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone is 321.03 g/mol.
Where can I buy 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone?
You can request a quote for 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4,6-Trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.