2-(4-Fluorophenyl)methyl-1,3-dithiane

HCID 19793243

Notes Reactions

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Basic information

CAS: 140377-42-0
Standard SMILES: Fc1ccc(CC2SCCCS2)cc1
InChIKey: YEQKOMNALWGRAQ-UHFFFAOYSA-N
Molecular formula: C11H13FS2
Average molar mass: 228.4 g/mol
Monoisotopic mass: 228.04427064

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)methyl-1,3-dithiane
IUPAC: 2-[(4-fluorophenyl)methyl]-1,3-dithiane

Names & synonyms

140377-42-02-(4-fluorophenyl)methyl-1,3-dithianeSCHEMBL9448352DTXSID60599980YEQKOMNALWGRAQ-UHFFFAOYSA-N2-[(4-Fluorophenyl)methyl]-1,3-dithiane

Database identifiers

CAS: 140377-42-0
PubChem CID: 19793243
DTXSID: DTXSID60599980

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Related reactions

2 records

New reaction record

HRID 6391 reaction equation

HRID 6391As productuspto-grants-1993_09

HRID 1646585 reaction equation

HRID 1646585As productuspto-grants-1993_01

Compound notes

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