Isothiazolidine, 2-dodecyl-, 1,1-dioxide
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Basic information
- CAS
73825-53-3- Standard SMILES
CCCCCCCCCCCCN1CCCS1(=O)=O- InChIKey
AVZYWXGGHXVRJV-UHFFFAOYSA-N- Molecular formula
- C15H31NO2S
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 289.20755041
Names & identifiers
- Preferred name
- Isothiazolidine, 2-dodecyl-, 1,1-dioxide
- IUPAC
- 2-dodecyl-1,2-thiazolidine 1,1-dioxide
- English name
- 2-Dodecylisothiazolidine 1,1-dioxide
- Molecular formula
- C15H31NO2S
- Molecular weight
- 289.48
Names & synonyms
2-Dodecylisothiazolidine-1,1-dioxideBRN 0523649ISOTHIAZOLIDINE, 2-DODECYL-, 1,1-DIOXIDE73825-53-3DTXSID90224278RefChem:350135DTXCID901467692-Dodecyl-1lambda~6~,2-thiazolidine-1,1-dione2-Dodecylisothiazolidine 1,1-dioxide
Database identifiers
- CAS
73825-53-3- PubChem CID
- 52613
- DTXSID
DTXSID90224278
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 391.6 · 391.6±25.0 °C(Predicted)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- pka
- -3.59 · -3.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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