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3-Methylthio-5-phenylindolin-2-one (HCID 13301976)|Huagongshe
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Compound
3-Methylthio-5-phenylindolin-2-one
HCID
13301976
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CSC1C(=O)Nc2ccc(-c3ccccc3)cc21
InChIKey
SQALRONGTBJWKD-UHFFFAOYSA-N
Molecular formula
C15H13NOS
Average molar mass
255.3 g/mol
Names & identifiers
Preferred name
3-Methylthio-5-phenylindolin-2-one
IUPAC
3-methylsulfanyl-5-phenyl-1,3-dihydroindol-2-one
Names & synonyms
SCHEMBL10711443
SQALRONGTBJWKD-UHFFFAOYSA-N
3-Methylthio-5-phenylindolin-2-one
Database identifiers
PubChem CID
13301976
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
314
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Related reactions
5 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
325313
As product
uspto-grants-1984_04
HRID
325314
As reactant
uspto-grants-1984_04
HRID
652256
As product
uspto-grants-1987_06
HRID
652257
As reactant
uspto-grants-1987_06
HRID
835018
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
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Compound notes
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