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Basic information
- Standard SMILES
C[C@@]1(c2cc(Br)ccc2F)CS(=O)(=O)CC(=S)N1- InChIKey
VDALQVCZKRIEAS-NSHDSACASA-N- Molecular formula
- C11H11BrFNO2S2
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 350.93986
Names & identifiers
- Preferred name
- (R)-5-(5-bromo-2-fluoro-phenyl)-5-methyl-1,1-dioxo-1lambda6-thio morpholin-3-thione
- IUPAC
- (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-1,1-dioxo-1,4-thiazinane-3-thione
Names & synonyms
SCHEMBL15601993VDALQVCZKRIEAS-NSHDSACASA-N(R)-5-(5-bromo-2-fluoro-phenyl)-5-methyl-1,1-dioxo-1lambda6-thio morpholin-3-thione(R)-5-(5-bromo-2-fluoro-phenyl)-5-methyl-1,1-dioxo-1lambda6-thiomorpholin-3-thione
Database identifiers
- PubChem CID
- 90067090
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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