4-(4-Fluorobenzyl)-1lambda6,4-thiazinane-1,1,3,5-tetraone
Basic information
- CAS
344264-17-1- Standard SMILES
O=C1CS(=O)(=O)CC(=O)N1Cc1ccc(F)cc1- InChIKey
XANPYPUSTJQJSP-UHFFFAOYSA-N- Molecular formula
- C11H10FNO4S
- Average molar mass
- 271.27 g/mol
Names & identifiers
- Preferred name
- 4-(4-Fluorobenzyl)-1lambda6,4-thiazinane-1,1,3,5-tetraone
- IUPAC
- 4-[(4-fluorophenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
- English name
- 4-(4-Fluorobenzyl)-1lambda6,4-thiazinane-1,1,3,5-tetraone
- Molecular formula
- C11H10FNO4S
- Molecular weight
- 271.26
Names & synonyms
344264-17-1MFCD002440674-(4-Fluorobenzyl)-1lambda6,4-thiazinane-1,1,3,5-tetraone4-[(4-fluorophenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione4-(4-Fluorobenzyl)thiomorpholine-3,5-dione 1,1-dioxide4-[(4-fluorophenyl)methyl]-1lambda6-thiomorpholine-1,1,3,5-tetroneOprea1_095971C11H10FNO4SAKOS0050978667H-312S4-(4-Fluorobenzyl)-4-thiazinane-1,1,3,5-tetraone3,5-Thiomorpholinedione, 4-[(4-fluorophenyl)methyl]-, 1,1-dioxide
Database identifiers
- CAS
344264-17-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 594.7 · 594.7±50.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- -2.56 · -2.56±0.20(Predicted)
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