Basic information
- CAS
65417-88-1- Standard SMILES
CCCCCCCCSCN1C(=O)c2ccccc2C1=O- InChIKey
SVPARTKJUFSXKC-UHFFFAOYSA-N- Molecular formula
- C17H23NO2S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.14495015
Names & identifiers
- Preferred name
- 2-[(Octylsulfanyl)methyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(octylsulfanylmethyl)isoindole-1,3-dione
Names & synonyms
65417-88-12-[(Octylsulfanyl)methyl]-1H-isoindole-1,3(2H)-dioneDTXSID70494917
Database identifiers
- CAS
65417-88-1- PubChem CID
- 12372595
- DTXSID
DTXSID70494917
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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