8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
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Basic information
- CAS
353468-17-4- Standard SMILES
CCOc1ccc(C(=O)N2c3ccc(Cl)cc3-c3c(ssc3=S)C2(C)C)cc1- InChIKey
GZFYTACMCUIZED-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO2S3
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.01882
Names & identifiers
- Preferred name
- 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
- IUPAC
- (8-chloro-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-ethoxyphenyl)methanone
- English name
- 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
- Molecular formula
- C21H18ClNO2S3
- Molecular weight
- 448.02112
Names & synonyms
353468-17-48-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione(8-chloro-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-ethoxyphenyl)methanoneOprea1_006301STL170475AKOS005367406(8-chloro-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-ethoxyphenyl)methanoneAK-968/11492100
Database identifiers
- CAS
353468-17-4- PubChem CID
- 1739962
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
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Compound notes
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