![(4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone structure](/static/products/221/221001-91-8.png)
(4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone
TL;DR: (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone (CAS 221001-91-8) is a chemical compound with molecular formula C19H14N2O3S3 and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone
Also Known As: (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone, (4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone, (4,4-dimethyl-8-nitro-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(phenyl)methanone
| Molecular Formula | C19H14N2O3S3 |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 6.00979 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.01666 |
| Heavy Atoms | 27 |
| Complexity | 1132.6017 |
Chemical Identifiers
| CAS Number | 221001-91-8 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C(=S)SS2)C |
Product Overview
(4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone (CAS 221001-91-8), with molecular formula C19H14N2O3S3 and molecular weight 414.02 g/mol. IUPAC: (4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone.
Chemical Property Profile of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone
Property Insights of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone
The XLogP value of 6.00979 indicates that (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone. Following Lipinski's Rule of Five, (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone?
The CAS number of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone is 221001-91-8.
What is the molecular formula of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone?
The molecular formula of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone is C19H14N2O3S3.
What is the molecular weight of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone?
The molecular weight of (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone is 414.02 g/mol.
Where can I buy (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone?
You can request a quote for (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.