Isothiazolidine, 2-cyclohexyl-, 1,1-dioxide
Basic information
- CAS
73825-52-2- Standard SMILES
O=S1(=O)CCCN1C1CCCCC1- InChIKey
RGCKILOYRYXFHB-UHFFFAOYSA-N- Molecular formula
- C9H17NO2S
- Average molar mass
- 203.3 g/mol
- Monoisotopic mass
- 203.09799996
Names & identifiers
- Preferred name
- Isothiazolidine, 2-cyclohexyl-, 1,1-dioxide
- IUPAC
- 2-cyclohexyl-1,2-thiazolidine 1,1-dioxide
- English name
- 2-Cyclohexylisothiazolidine 1,1-dioxide
- Molecular formula
- C9H17NO2S
- Molecular weight
- 203.3
Names & synonyms
ISOTHIAZOLIDINE, 2-CYCLOHEXYL-, 1,1-DIOXIDE2-Cyclohexylisothiazolidine-1,1-dioxide73825-52-2DTXSID30224277RefChem:350134DTXCID301467682-Cyclohexyl-1lambda~6~,2-thiazolidine-1,1-dione2-Cyclohexylisothiazolidine 1,1-dioxide
Database identifiers
- CAS
73825-52-2- PubChem CID
- 52612
- DTXSID
DTXSID30224277
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 319.2 · 319.2±25.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- -4.19 · -4.19±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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