2-(Pyridin-4-yl)isothiazolidine 1,1-dioxide
Basic information
- CAS
158090-60-9- Standard SMILES
O=S1(=O)CCCN1c1ccncc1- InChIKey
IZHWNBDPBZAVPW-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2S
- Average molar mass
- 198.24 g/mol
Names & identifiers
- Preferred name
- 2-(Pyridin-4-yl)isothiazolidine 1,1-dioxide
- IUPAC
- 2-pyridin-4-yl-1,2-thiazolidine 1,1-dioxide
- English name
- Pyridine, 4-(1,1-dioxido-2-isothiazolidinyl)- (9CI)
- Molecular formula
- C8H10N2O2S
- Molecular weight
- 198.24
Names & synonyms
158090-60-92-(Pyridin-4-yl)isothiazolidine 1,1-dioxidePyridine, 4-(1,1-dioxido-2-isothiazolidinyl)- (9CI)2-pyridin-4-yl-1,2-thiazolidine 1,1-dioxideIGA09060AKOS027399249DB-2783012-(Pyridin-4-yl)isothiazolidine1,1-dioxideEN300-7618262-(pyridin-4-yl)-1lambda6,2-thiazolidine-1,1-dionePYRIDINE, 4-(1,1-DIOXIDO-2-ISOTHIAZOLIDINYL)-Z2044817328
Database identifiers
- CAS
158090-60-9
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 356.1 · 356.1±34.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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