1-(3-Cyanophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-ethanone

HCID 18463576
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Basic information

Standard SMILES
CSc1ccc(C(O)C(=O)c2cccc(C#N)c2)cc1
InChIKey
KOXKOWBGEVANGA-UHFFFAOYSA-N
Molecular formula
C16H13NO2S
Average molar mass
283.3 g/mol

Names & identifiers

Preferred name
1-(3-Cyanophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-ethanone
IUPAC
3-[2-hydroxy-2-(4-methylsulfanylphenyl)acetyl]benzonitrile

Names & synonyms

1-(3-cyanophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-ethanone1-[3-Cyanophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-ethanoneSCHEMBL7084885KOXKOWBGEVANGA-UHFFFAOYSA-N

Database identifiers

PubChem CID
18463576

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
86.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Related reactions

2 records
New reaction record

Linked notes

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