![5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione structure](/static/products/3031/303175-12-4.webp)
5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
TL;DR: 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 303175-12-4) is a chemical compound with molecular formula C21H16N2OS5 and molecular weight 471.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-1-{4,4-DIMETHYL-1-SULFANYLIDENE-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}ETHANONE, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-1-{4,4-DIMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}ETHAN-1-ONE
| Molecular Formula | C21H16N2OS5 |
|---|---|
| Molecular Weight | 471.99 g/mol |
| LogP | 7.18979 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.98663 |
| Heavy Atoms | 29 |
| Complexity | 1266.6501 |
Chemical Identifiers
| CAS Number | 303175-12-4 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)CSC4=NC5=CC=CC=C5S4)C(=S)SS2)C |
Product Overview
5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 303175-12-4), with molecular formula C21H16N2OS5 and molecular weight 471.99 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Property Insights of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
The XLogP value of 7.18979 indicates that 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The CAS number of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 303175-12-4.
What is the molecular formula of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular formula of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C21H16N2OS5.
What is the molecular weight of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular weight of 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 471.99 g/mol.
Where can I buy 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
You can request a quote for 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.