2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Basic information
- CAS
332129-06-3- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(S)cc1)C2=O- InChIKey
NUXCZVSGXYONCO-UHFFFAOYSA-N- Molecular formula
- C15H9NO4S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.02522894
Names & identifiers
- Preferred name
- 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 1,3-dioxo-2-(4-sulfanylphenyl)isoindole-5-carboxylic acid
Names & synonyms
332129-06-32-(4-MERCAPTOPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID1,3-dioxo-2-(4-sulfanylphenyl)isoindole-5-carboxylic acid1,3-Dioxo-2-(4-sulfanylphenyl)-2,3-dihydro-1H-isoindole-5-carboxylic acidCBMicro_038960Oprea1_675195Oprea1_752821SCHEMBL22523866DTXSID80354472MFCD01604600AKOS000642687BIM-0039014.P001
Show more names
ST502475831,3-dioxo-2-(4-sulfanylphenyl)isoindoline-5-carboxylic acid1,3-dioxo-2-(4-sulfanylphenyl)benzo[c]azolidine-5-carboxylic acid2-(4-MERCAPTOPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLICACID
Database identifiers
- CAS
332129-06-3- PubChem CID
- 774479
- DTXSID
DTXSID80354472
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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