3-Acetylthio-2-trifluoromethylpropanoic acid

HCID 12833014
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Basic information

Standard SMILES
CC(=O)SCC(C(=O)O)C(F)(F)F
InChIKey
CALGIEBSJLYYOS-UHFFFAOYSA-N
Molecular formula
C6H7F3O3S
Average molar mass
216.18 g/mol

Names & identifiers

Preferred name
3-Acetylthio-2-trifluoromethylpropanoic acid
IUPAC
2-(acetylsulfanylmethyl)-3,3,3-trifluoropropanoic acid

Names & synonyms

3-acetylthio-2-trifluoromethylpropanoic acidSCHEMBL26890453-acetylthio-2trifluoromethylpropanoic acid2-(acetylthiomethyl)-3,3,3-trifluoropropanoic acid

Database identifiers

PubChem CID
12833014

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
13

Related reactions

20 records
New reaction record

Compound notes

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