1-Chloro-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)sulfanyl]ethyl acetate
Basic information
- CAS
60623-30-5- Standard SMILES
CC(=O)OC(Cl)CSN1C(=O)c2ccccc2C1=O- InChIKey
VILWNRXMSSTDFZ-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO4S
- Average molar mass
- 299.73 g/mol
- Monoisotopic mass
- 299.0019067
Names & identifiers
- Preferred name
- 1-Chloro-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)sulfanyl]ethyl acetate
- IUPAC
- [1-chloro-2-(1,3-dioxoisoindol-2-yl)sulfanylethyl] acetate
Names & synonyms
60623-30-5DTXSID808218311-Chloro-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)sulfanyl]ethyl acetate
Database identifiers
- CAS
60623-30-5- PubChem CID
- 71400560
- DTXSID
DTXSID80821831
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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