1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
Basic information
- CAS
573706-83-9- Standard SMILES
Cc1[nH]c2ccccc2c1C(=O)CSc1ccccn1- InChIKey
IQQRUFNSFFTCHJ-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- 1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
- IUPAC
- 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone
Names & synonyms
573706-83-91-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone1-(2-Methyl-1H-indol-3-yl)-2-[(pyridin-2-yl)sulfanyl]ethan-1-one1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanoneCBKinase1_005250CBKinase1_017650TimTec1_007569MLS000710229CHEMBL1565124DTXSID301329076HMS1555I01HMS2700K04
Show more names
STK134390AKOS000627498IDI1_033223SMR000287396EU-0050544ST500251261-(2-methylindol-3-yl)-2-(2-pyridylthio)ethan-1-one1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylthio)ethanone
Database identifiers
- CAS
573706-83-9- PubChem CID
- 753522
- DTXSID
DTXSID301329076- ChEMBL
CHEMBL1565124
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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