Basic information
- Standard SMILES
O=C1CCc2ccc(N=C=S)cc2N1- InChIKey
GYAQCJBUCGBUNC-UHFFFAOYSA-N- Molecular formula
- C10H8N2OS
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.03573406
Names & identifiers
- Preferred name
- 7-isothiocyanato-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 7-isothiocyanato-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
SCHEMBL7273904GYAQCJBUCGBUNC-UHFFFAOYSA-N7-Isothiocyanato-3,4-dihydro-2(1H)quinolone7-isothiocyanato-3,4-dihydroquinolin-2(1H)-one
Database identifiers
- PubChem CID
- 15719019
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Related reactions
6 records
Compound notes
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