2-(Methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine

HCID 19693871
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1nccc(Oc2cccc(C(F)(F)F)c2)n1
InChIKey
AJGXZYXSVJUKBU-UHFFFAOYSA-N
Molecular formula
C12H9F3N2OS
Average molar mass
286.27 g/mol

Names & identifiers

Preferred name
2-(Methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine
IUPAC
2-methylsulfanyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine

Names & synonyms

175836-60-92-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine2-methylsulfanyl-4-[3-(trifluoromethyl)phenoxy]pyrimidineSCHEMBL8668427AI-204/317150052-methylthio-4-[3-(trifluoromethyl)phenoxy]pyrimidine2-(Methylthio)-4-(3-(trifluoromethyl)phenoxy)pyrimidine

Database identifiers

PubChem CID
19693871

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
60.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
19

Related reactions

1 records
New reaction record

Linked notes

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