Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
Basic information
- CAS
73825-56-6- Standard SMILES
CC(C)(C)CC(C)(C)N1CCCS1(=O)=O- InChIKey
CJCQNFYONFORTN-UHFFFAOYSA-N- Molecular formula
- C11H23NO2S
- Average molar mass
- 233.37 g/mol
- Monoisotopic mass
- 233.14495015
Names & identifiers
- Preferred name
- Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
- IUPAC
- 2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazolidine 1,1-dioxide
- English name
- 2-(1,1,3,3-Tetramethylbutyl)isothiazolidine 1,1-dioxide
- Molecular formula
- C11H23NO2S
- Molecular weight
- 233.37
Names & synonyms
ISOTHIAZOLIDINE, 2-(2,4,4-TRIMETHYL-2-PENTYL)-, 1,1-DIOXIDE73825-56-62-(2,4,4-Trimethyl-2-pentyl)isothiazolidine-1,1-dioxideDTXSID20224281RefChem:350131DTXCID20146772SCHEMBL235462862-(2,4,4-Trimethylpentan-2-yl)-1lambda~6~,2-thiazolidine-1,1-dione2-(1,1,3,3-Tetramethylbutyl)isothiazolidine 1,1-dioxideIsothiazolidine, 2-(1,1,3,3-tetramethylbutyl)-, 1,1-dioxide
Database identifiers
- CAS
73825-56-6- PubChem CID
- 52616
- DTXSID
DTXSID20224281
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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