Basic information
- Standard SMILES
CSC1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1- InChIKey
QCIHVBCUEZQWAC-UHFFFAOYSA-N- Molecular formula
- C11H10F3N3O2S
- Average molar mass
- 305.28 g/mol
- Monoisotopic mass
- 305.04458223
Names & identifiers
- Preferred name
- 3-(3-Trifluoromethylphenyl)-6-methylthio-tetrahydro-1,3,5-triazine-2,4-dione
- IUPAC
- 6-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione
Names & synonyms
3-(3-trifluoromethylphenyl)-6-methylthio-tetrahydro-1,3,5-triazine-2,4-dioneSCHEMBL11245953
Database identifiers
- PubChem CID
- 70545915
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Compound notes
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