Basic information
- Standard SMILES
CC(C)(C)[S@](=O)/N=C/c1ncccc1C(F)(F)F- InChIKey
DSOTZQNVKDVLTI-ULUBDBHXSA-N- Molecular formula
- C11H13F3N2OS
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0700687
Names & identifiers
- Preferred name
- (NE,S)-2-methyl-N-[[3-(trifluoromethyl)pyridin-2-yl]methylidene]propane-2-sulfinamide
- IUPAC
- (NE,S)-2-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]propane-2-sulfinamide
Names & synonyms
(NE,S)-2-methyl-N-[[3-(trifluoromethyl)pyridin-2-yl]methylidene]propane-2-sulfinamide
Database identifiers
- PubChem CID
- 89310312
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
11 records
Compound notes
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