6-Amino-2-(3-methoxy-5-methylphenylthio)benzenecarbonitrile

HCID 486328
Substructure searchFind similar structures

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 properties

XLogP
3.9
Topological polar surface area
84.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

Loading…