2-(Methylsulfanyl)-4-[4-(methylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine
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Basic information
- CAS
342651-54-1- 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 propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
8 records
Compound notes
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