![(3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone structure](/static/products/487/487006-70-2.png)
(3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
TL;DR: (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone (CAS 487006-70-2) is a chemical compound with molecular formula C23H17ClN2O4S4 and molecular weight 547.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-nitro-1-benzothiophen-2-yl)-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (3-chloro-6-nitro-1-benzothiophen-2-yl)-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (3-chloro-6-nitrobenzo[b]thiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone, 3-chloro-6-nitrobenzo[b]thiophen-2-yl 8-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihyd ro-1,2-dithioleno[5,4-c]quinolin-5-yl) ketone, 5-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C23H17ClN2O4S4 |
|---|---|
| Molecular Weight | 547.98 g/mol |
| LogP | 8.27659 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.97595 |
| Heavy Atoms | 34 |
| Complexity | 1552.327 |
Chemical Identifiers
| CAS Number | 487006-70-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl |
Product Overview
(3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone (CAS 487006-70-2), with molecular formula C23H17ClN2O4S4 and molecular weight 547.98 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Property Insights of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
The XLogP value of 8.27659 indicates that (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone. Following Lipinski's Rule of Five, (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone?
The CAS number of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone is 487006-70-2.
What is the molecular formula of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone?
The molecular formula of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone is C23H17ClN2O4S4.
What is the molecular weight of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone?
The molecular weight of (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone is 547.98 g/mol.
Where can I buy (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone?
You can request a quote for (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-6-nitro-1-benzothiophen-2-yl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.