6-Amino-2-(3-methoxy-5-methylphenylthio)benzenecarbonitrile
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Basic information
- Standard SMILES
COc1cc(C)cc(Sc2cccc(N)c2C#N)c1- InChIKey
RIZVXTYEBQZFCK-UHFFFAOYSA-N- Molecular formula
- C15H14N2OS
- Average molar mass
- 270.4 g/mol
Names & identifiers
- Preferred name
- 6-Amino-2-(3-methoxy-5-methylphenylthio)benzenecarbonitrile
- IUPAC
- 2-amino-6-(3-methoxy-5-methylphenyl)sulfanylbenzonitrile
Names & synonyms
BDBM1753CHEMBL292891SCHEMBL8643800RIZVXTYEBQZFCK-UHFFFAOYSA-N6-Amino-2-(3-methoxy-5-methylphenylthio)benzenecarbonitrile2-Amino-6-arylthiobenzonitrile deriv. 1w2-amino-6-(3-methoxy-5-methyl-phenyl)sulfanyl-benzonitrile2-Amino-6-[(3 -methyl-5-methoxyphenyl)thio]benzonitrile2-amino-6-[(3-methoxy-5-methylphenyl)sulfanyl]benzonitrile
Database identifiers
- PubChem CID
- 486328
- ChEMBL
CHEMBL292891
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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