Basic information
- Standard SMILES
COc1ccc(-c2cc(C)c(C#N)c(S)n2)cc1OC- InChIKey
RLYWWBAEXLRLJW-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- 2-Mercapto-6-(3,4-dimethoxyphenyl)-4-methyl-pyridine-3-carbonitrile
- IUPAC
- 6-(3,4-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Names & synonyms
SCHEMBL1321408RLYWWBAEXLRLJW-UHFFFAOYSA-N2-mercapto-6-(3,4-dimethoxyphenyl)-4-methyl-pyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 23109292
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 515
Related reactions
2 records
Compound notes
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