3-Methyl-3-(methylsulfanyl)-6-nitro-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
61394-74-9- Standard SMILES
CSC1(C)C(=O)Nc2cc([N+](=O)[O-])ccc21- InChIKey
USUBQHOXUOPTCG-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3S
- Average molar mass
- 238.27 g/mol
- Monoisotopic mass
- 238.04121336
Names & identifiers
- Preferred name
- 3-Methyl-3-(methylsulfanyl)-6-nitro-1,3-dihydro-2H-indol-2-one
- IUPAC
- 3-methyl-3-methylsulfanyl-6-nitro-1H-indol-2-one
Names & synonyms
61394-74-9DTXSID203159813-Methyl-3-(methylsulfanyl)-6-nitro-1,3-dihydro-2H-indol-2-oneRefChem:280844DTXCID30267104NSC298338NSC-298338
Database identifiers
- CAS
61394-74-9- PubChem CID
- 326658
- DTXSID
DTXSID20315981
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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