![1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium structure](/static/products/3700/370071-13-9.webp)
1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium
TL;DR: 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium (CAS 370071-13-9) is a chemical compound with molecular formula C16H18NOS3+ and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate
Also Known As: BAS 00225058, 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium, (4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)-(2-methylpropanoyl)sulfanium, 1-(4,4-dimethyl(4,5-dihydro-1,2-dithiolo[3,4-c]quinolinylthio))-2-methylpropan -1-one, S-(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate
| Molecular Formula | C16H18NOS3+ |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 5.693 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.05505 |
| Heavy Atoms | 21 |
| Complexity | 703.29767 |
Chemical Identifiers
| CAS Number | 370071-13-9 |
|---|---|
| SMILES | CC(C)C(=O)SC1=[S+]SC2=C1C3=CC=CC=C3NC2(C)C |
Product Overview
1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium (CAS 370071-13-9), with molecular formula C16H18NOS3+ and molecular weight 336.06 g/mol. IUPAC: S-(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate.
Chemical Property Profile of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium
Property Insights of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium
The XLogP value of 5.693 indicates that 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium?
The CAS number of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium is 370071-13-9.
What is the molecular formula of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium?
The molecular formula of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium is C16H18NOS3+.
What is the molecular weight of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium?
The molecular weight of 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium is 336.06 g/mol.
Where can I buy 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium?
You can request a quote for 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.