Basic information
- CAS
39801-32-6- Standard SMILES
CCCSN1C(=O)c2ccccc2C1=O- InChIKey
AZFZZWPVIHWVOE-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- 2H-Isoindole-2-propanethiol, 1,3-dihydro-1,3-dioxo-
- IUPAC
- 2-propylsulfanylisoindole-1,3-dione
Names & synonyms
Phthaloyl MPA2H-ISOINDOLE-2-PROPANETHIOL, 1,3-DIHYDRO-1,3-DIOXO-3-MercaptopropylphthalimideBRN 0158501N-(3-Mercaptopropyl)phthalimideDTXSID801928761,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanethiol0-21-00-00472 (Beilstein Handbook Reference)RefChem:268761DTXCID201153672-propylsulfanylisoindole-1,3-dione17796-71-3
Show more names
SCHEMBL10335606AZFZZWPVIHWVOE-UHFFFAOYSA-NAKOS0158984112-(propylsulfanyl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
39801-32-6- PubChem CID
- 38348
- DTXSID
DTXSID80192876- Nikkaji
- J178.446C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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