6-Amino-2-(3,5-dimethylphenylthio)benzenecarbonitrile

HCID 486325
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Basic information

Standard SMILES
Cc1cc(C)cc(Sc2cccc(N)c2C#N)c1
InChIKey
XJAXKMGTBCHILP-UHFFFAOYSA-N
Molecular formula
C15H14N2S
Average molar mass
254.4 g/mol

Names & identifiers

Preferred name
6-Amino-2-(3,5-dimethylphenylthio)benzenecarbonitrile
IUPAC
2-amino-6-(3,5-dimethylphenyl)sulfanylbenzonitrile

Names & synonyms

6-Amino-2-(3,5-dimethylphenylthio)benzenecarbonitrileBDBM1750CHEMBL294627SCHEMBL8644586XJAXKMGTBCHILP-UHFFFAOYSA-N2-Amino-6-arylthiobenzonitrile deriv. 1t2-amino-6-[(3,5-dimethylphenyl)thio]benzonitrile2-amino-6-(3,5-dimethylphenyl)sulfanyl-benzonitrile2-amino-6-[(3,5-dimethylphenyl)sulfanyl]benzonitrile

Database identifiers

PubChem CID
486325
ChEMBL
CHEMBL294627

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
75.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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