1-(4-Fluoro-2-methylaminophenyl)-2-(methylthio)ethanone (HCID 19978474)

Substructure search Find similar structures

Basic information

Standard SMILES: CNc1cc(F)ccc1C(=O)CSC
InChIKey: RLOFMBAAEKGVPT-UHFFFAOYSA-N
Molecular formula: C10H12FNOS
Average molar mass: 213.27 g/mol

Names & identifiers

Preferred name: 1-(4-Fluoro-2-methylaminophenyl)-2-(methylthio)ethanone
IUPAC: 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfanylethanone

Names & synonyms

SCHEMBL9722911RLOFMBAAEKGVPT-UHFFFAOYSA-N1-(4-fluoro-2-methylaminophenyl)-2(methylthio)ethanone1-(4-fluoro-2-methylaminophenyl)-2-(methylthio)ethanone

Database identifiers

PubChem CID: 19978474

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 201

Related reactions

8 records

New reaction record

HRID 1085898As productuspto-grants-1991_04

HRID 1085900As reactantuspto-grants-1991_04

HRID 1085919As reactantuspto-grants-1991_04

HRID 1089766As productuspto-grants-1992_01

HRID 1089768As reactantuspto-grants-1992_01

HRID 1089787As reactantuspto-grants-1992_01

HRID 1558513As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1569569As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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