1-(1,4-Dihydro-4,4,6,8-tetramethyl-1-thioxo-5H-(1,2)dithiolo(3,4-c)quinolin-5-yl)-1-propanone

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Basic information

CAS: 309265-61-0
Standard SMILES: CCC(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C
InChIKey: DPZHJTKYCNXNLT-UHFFFAOYSA-N
Molecular formula: C17H19NOS3
Average molar mass: 349.5 g/mol
Monoisotopic mass: 349.06287775

Names & identifiers

Preferred name: 1-(1,4-Dihydro-4,4,6,8-tetramethyl-1-thioxo-5H-(1,2)dithiolo(3,4-c)quinolin-5-yl)-1-propanone
IUPAC: 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one

Names & synonyms

309265-61-01-(1,4-Dihydro-4,4,6,8-tetramethyl-1-thioxo-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-propanone1-(1,4-Dihydro-4,4,6,8-tetramethyl-1-thioxo-5H-(1,2)dithiolo(3,4-c)quinolin-5-yl)-1-propanoneRefChem:2223394,4,6,8-tetramethyl-5-propionyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione1-(4,4,6,8-Tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)propan-1-oneCDS1_002766ChemDivAM_001221ChemDiv1_022542DivK1c_003806HMS651A14DTXSID401119294

Show more names

STK000682AKOS0006176151-(4,4,6,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)propan-1-oneST50333020AG-690/12002186SR-01000449928SR-01000449928-11-(4,4,6,8-tetramethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)propan-1-one

Database identifiers

CAS: 309265-61-0
PubChem CID: 685771
DTXSID: DTXSID401119294

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 554

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Compound notes

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