3-Trifluoromethyl-2-(2-aminophenylthio)benzonitrile

HCID 19969445
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Basic information

Standard SMILES
N#Cc1cccc(C(F)(F)F)c1Sc1ccccc1N
InChIKey
UFLSTOZYERBKRR-UHFFFAOYSA-N
Molecular formula
C14H9F3N2S
Average molar mass
294.3 g/mol
Monoisotopic mass
294.04385396

Names & identifiers

Preferred name
3-Trifluoromethyl-2-(2-aminophenylthio)benzonitrile
IUPAC
2-(2-aminophenyl)sulfanyl-3-(trifluoromethyl)benzonitrile

Names & synonyms

3-Trifluoromethyl-2-(2-aminophenylthio)benzonitrileSCHEMBL8880899

Database identifiers

PubChem CID
19969445

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
75.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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