2-Amino-6-[(3,5-dimethylphenyl)sulfinyl]benzonitrile

HCID 486343
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Basic information

Standard SMILES
Cc1cc(C)cc(S(=O)c2cccc(N)c2C#N)c1
InChIKey
OFZRTOPTDCNZGE-UHFFFAOYSA-N
Molecular formula
C15H14N2OS
Average molar mass
270.4 g/mol

Names & identifiers

Preferred name
2-Amino-6-[(3,5-dimethylphenyl)sulfinyl]benzonitrile
IUPAC
2-amino-6-(3,5-dimethylphenyl)sulfinylbenzonitrile

Names & synonyms

CHEMBL543182-amino-6-[(3,5-dimethylphenyl)sulfinyl]benzonitrileBDBM1769SCHEMBL8410399OFZRTOPTDCNZGE-UHFFFAOYSA-N6-Amino-2-[(3,5-dimethylphenyl)sulfinyl]benzenecarbonitrileBDBM504802192-Amino-6-arylthiobenzonitrile deriv. 2n2-amino-6-(3,5-dimethylphenyl)sulfinyl-benzonitrile2-amino-6-[(3,5-dimethylbenzene)sulfinyl]benzonitrile

Database identifiers

PubChem CID
486343
ChEMBL
CHEMBL54318
Nikkaji
J2.309.586F

Properties

Computed structural properties

XLogP
3
Topological polar surface area
86.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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