2-(Methylsulfanyl)-4-[4-(methylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine

HCID 22018314CAS 342651-54-1

Basic information

Standard SMILES
CSc1ccc(-c2cc(C(F)(F)F)nc(SC)n2)cc1
InChIKey
HNALTNQENCAIAX-UHFFFAOYSA-N
Molecular formula
C13H11F3N2S2
Average molar mass
316.4 g/mol
Monoisotopic mass
316.03157501

Names & identifiers

Preferred name
2-(Methylsulfanyl)-4-[4-(methylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine
IUPAC
2-methylsulfanyl-4-(4-methylsulfanylphenyl)-6-(trifluoromethyl)pyrimidine

Names & synonyms

2-(Methylsulfanyl)-4-[4-(methylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine342651-54-1SCHEMBL4718764DTXSID306215652-(Methylthio)-4-[4(methylthio)phenyl]-6-(trifluoromethyl)pyrimidine2-(Methylthio)-4-[4-(methylthio)phenyl]-6-(trifluoromethyl) Pyrimidine2-(Methylthio)-4-[4-(methylthio)phenyl]-6-(trifluoromethyl)pyrimidine

Database identifiers

CAS
342651-54-1
PubChem CID
22018314
DTXSID
DTXSID30621565

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
76.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
20

Related reactions

8 records

Linked notes

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