Ethanethioic acid trans-(+/-)-S-[5-[[(4-fluorophenyl)thio]methyl]tetrahydro-3-furanyl]ester

HCID 86750751
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Basic information

Standard SMILES
CC(=O)S[C@@H]1CO[C@@H](CSc2ccc(F)cc2)C1
InChIKey
RSECRKSURUGRQI-YPMHNXCESA-N
Molecular formula
C13H15FO2S2
Average molar mass
286.4 g/mol

Names & identifiers

Preferred name
Ethanethioic acid trans-(+/-)-S-[5-[[(4-fluorophenyl)thio]methyl]tetrahydro-3-furanyl]ester
IUPAC
S-[(3S,5R)-5-[(4-fluorophenyl)sulfanylmethyl]oxolan-3-yl] ethanethioate

Names & synonyms

RSECRKSURUGRQI-YPMHNXCESA-NEthanethioic acid trans-(+/-)-S-[5-[[(4-fluorophenyl)thio]methyl]tetrahydro-3-furanyl]ester

Database identifiers

PubChem CID
86750751

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
76.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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