Basic information
- CAS
98412-43-2- Standard SMILES
S=c1[nH]c2cccc3c2n1CC=C3- InChIKey
XXMDJIFKZSBPID-UHFFFAOYSA-N- Molecular formula
- C10H8N2S
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.04081944
Names & identifiers
- Preferred name
- 4H-Imidazo[4,5,1-IJ]quinoline-2(1H)-thione
- IUPAC
- 1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-2-thione
- English name
- 4H-Imidazo[4,5,1-ij]quinoline-2(1H)-thione(9CI)
- Molecular formula
- C10H8N2S
- Molecular weight
- 188.25
Names & synonyms
98412-43-24H-IMIDAZO[4,5,1-IJ]QUINOLINE-2(1H)-THIONESCHEMBL10636738DTXSID706031882-Mercapto-[4H]-imidazo[4,5,1-ij]quinoline4H-Imidazo[4,5,1-ij]quinoline-2(1H)-thione(9CI)
Database identifiers
- CAS
98412-43-2- PubChem CID
- 20163593
- DTXSID
DTXSID70603188
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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