Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
3-Methylthio-7-phenylindolin-2-one (HCID 13301975)|Huagongshe
Home
/
Compound
3-Methylthio-7-phenylindolin-2-one
HCID
13301975
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CSC1C(=O)Nc2c(-c3ccccc3)cccc21
InChIKey
ALUDKRNGTRITHQ-UHFFFAOYSA-N
Molecular formula
C15H13NOS
Average molar mass
255.3 g/mol
Names & identifiers
Preferred name
3-Methylthio-7-phenylindolin-2-one
IUPAC
3-methylsulfanyl-7-phenyl-1,3-dihydroindol-2-one
Names & synonyms
SCHEMBL10711888
ALUDKRNGTRITHQ-UHFFFAOYSA-N
3-Methylthio-7-phenylindolin-2-one
Database identifiers
PubChem CID
13301975
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
Show all 8
Show all 8 / 8
Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
325315
As product
uspto-grants-1984_04
HRID
325316
As reactant
uspto-grants-1984_04
HRID
652258
As product
uspto-grants-1987_06
HRID
652259
As reactant
uspto-grants-1987_06
HRID
1209813
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Show 1 more
Compound notes
Loading…