Basic information
- CAS
121161-70-4- Standard SMILES
O=C1c2ccccc2C(=O)N1CCS(=O)Cc1ccco1- InChIKey
ZSEKWQMTVIYDAO-UHFFFAOYSA-N- Molecular formula
- C15H13NO4S
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.05652907
Names & identifiers
- Preferred name
- 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-(furan-2-ylmethylsulfinyl)ethyl]isoindole-1,3-dione
Names & synonyms
121161-70-42-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione2-(2-((FURAN-2-YLMETHYL)SULFINYL)ETHYL)-1H-ISOINDOLE-1,3(2H)-DIONEDTXSID609237062-{2-[(Furan-2-yl)methanesulfinyl]ethyl}-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
121161-70-4- PubChem CID
- 147653
- DTXSID
DTXSID60923706
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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