Basic information
- CAS
62078-03-9- Standard SMILES
COc1ccc2nc(C)c(C)c(C(N)=S)c2c1- InChIKey
ZWXCTZNPDITBSM-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.08268425
Names & identifiers
- Preferred name
- 6-Methoxy-2,3-dimethylquinoline-4-carbothioamide
- IUPAC
- 6-methoxy-2,3-dimethylquinoline-4-carbothioamide
Names & synonyms
6-Methoxy-2,3-dimethylquinoline-4-carbothioamide62078-03-9DTXSID80531600
Database identifiers
- CAS
62078-03-9- PubChem CID
- 13245262
- DTXSID
DTXSID80531600
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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