Basic information
- CAS
96450-23-6- Standard SMILES
Cc1ccc(NC(=S)c2ccc3ccccc3n2)cc1- InChIKey
WVOBJRHPTOYUBX-UHFFFAOYSA-N- Molecular formula
- C17H14N2S
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.08776963
Names & identifiers
- Preferred name
- 2-Quinolinecarbothioamide, N-(4-methylphenyl)-
- IUPAC
- N-(4-methylphenyl)quinoline-2-carbothioamide
Names & synonyms
96450-23-62-Quinolinecarbothioamide, N-(4-methylphenyl)-N-(4-methylphenyl)quinoline-2-carbothioamideN-(4-methylphenyl)-2-quinolinecarbothioamideOprea1_559681DTXSID40358310AB00114342-01
Database identifiers
- CAS
96450-23-6- PubChem CID
- 886367
- DTXSID
DTXSID40358310
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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