Basic information
- CAS
301655-54-9- Standard SMILES
CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
VHAYAMDLHFYOHL-UHFFFAOYSA-N- Molecular formula
- C21H18N2O4S3
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.04287058
Names & identifiers
- Preferred name
- (8-Ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-nitrophenyl)methanone
- IUPAC
- (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-nitrophenyl)methanone
- English name
- 8-ethoxy-5-{4-nitrobenzoyl}-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
- Molecular formula
- C21H18N2O4S3
- Molecular weight
- 458.57362
Names & synonyms
(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-nitrophenyl)methanone(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanoneCDS1_003069ChemDiv1_022845Oprea1_456200Oprea1_601349DivK1c_004109HMS651O09STL361130AKOS000676448ST50224981AG-690/07588045
Show more names
SR-01000449750SR-01000449750-1(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone301655-54-98-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 4-nitrophenyl ketone8-ethoxy-4,4-dimethyl-5-(4-nitrobenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione8-ethoxy-5-{4-nitrobenzoyl}-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Database identifiers
- CAS
301655-54-9- PubChem CID
- 1718511
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 771
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…