5-Chloro-3-methylsulfanyl-1,3-dihydroindol-2-one
Basic information
- CAS
61394-53-4- Standard SMILES
CSC1C(=O)Nc2ccc(Cl)cc21- InChIKey
TWWINSCIZJKYJM-UHFFFAOYSA-N- Molecular formula
- C9H8ClNOS
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.0015127
Names & identifiers
- Preferred name
- 5-Chloro-3-methylsulfanyl-1,3-dihydroindol-2-one
- IUPAC
- 5-chloro-3-methylsulfanyl-1,3-dihydroindol-2-one
- English name
- AKOS 91763
- Molecular formula
- C9H8ClNOS
- Molecular weight
- 213.687
Names & synonyms
61394-53-45-chloro-3-methylsulfanyl-1,3-dihydroindol-2-oneDTXSID30315992RefChem:302530DTXCID402671155-Chloro-3-(methylthio)indolin-2-oneNSC298359SCHEMBL117959AKOS000280455AKOS030556092NSC-298359DS-005685
Show more names
AKOS 91763
5-Chloro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
61394-53-4- PubChem CID
- 326677
- DTXSID
DTXSID30315992- Nikkaji
- J3.493.138K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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