2-[(3,5-Dimethylphenyl)thio]-6-fluorobenzonitrile

HCID 10848751
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Basic information

Standard SMILES
Cc1cc(C)cc(Sc2cccc(F)c2C#N)c1
InChIKey
UDZIXXWEHWIBPG-UHFFFAOYSA-N
Molecular formula
C15H12FNS
Average molar mass
257.3 g/mol
Monoisotopic mass
257.06744872

Names & identifiers

Preferred name
2-[(3,5-Dimethylphenyl)thio]-6-fluorobenzonitrile
IUPAC
2-(3,5-dimethylphenyl)sulfanyl-6-fluorobenzonitrile

Names & synonyms

SCHEMBL8410372UDZIXXWEHWIBPG-UHFFFAOYSA-N2-[(3,5-Dimethylphenyl)thio]-6-fluorobenzonitrile

Database identifiers

PubChem CID
10848751

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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