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2-(3-Fluorophenyl)methyl-1,3-dithiane

HCID 19793236
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cccc(CC2SCCCS2)c1
InChIKey
CSOCPTFRNFPNOG-UHFFFAOYSA-N
Molecular formula
C11H13FS2
Average molar mass
228.4 g/mol

Names & identifiers

Preferred name
2-(3-Fluorophenyl)methyl-1,3-dithiane
IUPAC
2-[(3-fluorophenyl)methyl]-1,3-dithiane

Names & synonyms

SCHEMBL9447941CSOCPTFRNFPNOG-UHFFFAOYSA-N2-(3-Fluorophenyl)methyl-1,3-dithiane

Database identifiers

PubChem CID
19793236

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
169

Related reactions

3 records
New reaction record
HRID 6390 reaction equation
HRID 6390As productuspto-grants-1993_09
HRID 1646584 reaction equation
HRID 1646584As productuspto-grants-1993_01
HRID 2154829 reaction equation
HRID 2154829As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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