3-Methylthio-5-nitrooxindole
Basic information
- CAS
40800-69-9- Standard SMILES
CSC1C(=O)Nc2ccc([N+](=O)[O-])cc21- InChIKey
PJHFXDUFTXOAMP-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.0255633
Names & identifiers
- Preferred name
- 3-Methylthio-5-nitrooxindole
- IUPAC
- 3-methylsulfanyl-5-nitro-1,3-dihydroindol-2-one
Names & synonyms
3-methylthio-5-nitrooxindole40800-69-9NSC298330SCHEMBL11427311PJHFXDUFTXOAMP-UHFFFAOYSA-NNSC-298330
Database identifiers
- CAS
40800-69-9- PubChem CID
- 326650
- Nikkaji
- J3.493.139I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
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Related reactions
3 records
Compound notes
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