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5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione structure
Fine Chemical

5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

TL;DR: 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 116200-89-6) is a chemical compound with molecular formula C19H15NOS3 and molecular weight 369.0316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone

Also Known As: DivK1c_004019, CDS1_002979, BAS 00351144, BIM-0014443.P001, 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

CAS Number
116200-89-6
Molecular Formula
C19H15NOS3
Molecular Weight
369.0316 g/mol
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Technical Specifications

Molecular FormulaC19H15NOS3
Molecular Weight369.0316 g/mol
XLogP4.0
Topological Polar Surface Area (TPSA)103.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds1
Exact Mass369.0316 Da
Heavy Atoms24
Complexity591.0
SMILESCC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=CC=C4)C(=S)SS2)C
InChIKeyZPDVANIZPCHEPF-UHFFFAOYSA-N

Chemical Property Profile of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

XLogP
4.0
TPSA (Topological Polar Surface Area)
103.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
24
Complexity
591.0
Exact Mass
369.0316
Monoisotopic Mass
369.0316
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

The XLogP value of 4.0 indicates that 5-benzoyl-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. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione. Following Lipinski's Rule of Five, 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 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

What is the CAS number of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?

The CAS number of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 116200-89-6.

What is the molecular formula of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?

The molecular formula of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C19H15NOS3.

What is the molecular weight of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?

The molecular weight of 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 369.0316 g/mol.

Where can I buy 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?

You can request a quote for 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-benzoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?

Yes, CoreyChem provides custom synthesis services for 5-benzoyl-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.

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