4-Benzoyl-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one

HCID 12923552

Notes Reactions

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Basic information

CAS: 61085-30-1
Standard SMILES: CSC1C(=O)Nc2cccc(C(=O)c3ccccc3)c21
InChIKey: YJMMLTGLBKYWJV-UHFFFAOYSA-N
Molecular formula: C16H13NO2S
Average molar mass: 283.3 g/mol
Monoisotopic mass: 283.06669966

Names & identifiers

Preferred name: 4-Benzoyl-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
IUPAC: 4-benzoyl-3-methylsulfanyl-1,3-dihydroindol-2-one

Names & synonyms

61085-30-1SCHEMBL114717614-Benzoyl-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-oneDTXSID60513080YJMMLTGLBKYWJV-UHFFFAOYSA-N4-Benzoyl-3-methylthioindolin-2-one

Database identifiers

CAS: 61085-30-1
PubChem CID: 12923552
DTXSID: DTXSID60513080

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 392

Related reactions

9 records

New reaction record

HRID 442537As productuspto-grants-1977_08

HRID 442541As reactantuspto-grants-1977_08

HRID 1283621As productuspto-grants-1976_08

HRID 1283625As reactantuspto-grants-1976_08

HRID 1704320As productuspto-grants-1978_11

HRID 1704324As reactantuspto-grants-1978_11

HRID 2051866As productuspto-grants-1980_01

HRID 2051870As reactantuspto-grants-1980_01

Compound notes

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