Basic information
- CAS
300801-93-8- Standard SMILES
Cc1ccc2c(c1)N(C(=O)COc1ccccc1Cl)C(C)(C)c1ssc(=S)c1-2- InChIKey
FKVAMRVORSJXAY-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO2S3
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.01882
Names & identifiers
- Preferred name
- 2-(2-Chlorophenoxy)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
- IUPAC
- 2-(2-chlorophenoxy)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
- English name
- 5-[(2-chlorophenoxy)acetyl]-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
- Molecular formula
- C21H18ClNO2S3
- Molecular weight
- 448.02
Names & synonyms
300801-93-82-(2-chlorophenoxy)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone5-[(2-chlorophenoxy)acetyl]-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thioneOprea1_111570Oprea1_692771STL361099AKOS000645667ST50216872AG-690/330700472-(2-chlorophenoxy)-1-(4,4,7-trimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4 -c]quinolin-5-yl))ethan-1-one2-(2-chlorophenoxy)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone2-(2-chlorophenoxy)-1-(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone
Show more names
Ethanone, 2-(2-chlorophenoxy)-1-(1,4-dihydro-4,4,7-trimethyl-1-thioxo-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-
Properties
Computed structural properties
- 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
- 695
Physicochemical properties
- Boiling point
- 687.4 · 687.4±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -1.2 · -1.20±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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