Basic information
- Standard SMILES
O=C(O)CN1C(=O)c2ccc(Sc3ccccc3)cc2C1=O- InChIKey
PLQFJVGDVMTWGN-UHFFFAOYSA-N- Molecular formula
- C16H11NO4S
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.04087901
Names & identifiers
- Preferred name
- (1,3-Dioxo-5-phenylsulfanyl-1,3-dihydro-isoindol-2-yl)-acetic acid
- IUPAC
- 2-(1,3-dioxo-5-phenylsulfanylisoindol-2-yl)acetic acid
Names & synonyms
SCHEMBL523148PLQFJVGDVMTWGN-UHFFFAOYSA-N(1,3-Dioxo-5-phenylsulfanyl-1,3-dihydro-isoindol-2-yl)-acetic acid
Database identifiers
- PubChem CID
- 59645281
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Related reactions
32 records
Compound notes
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