3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
56676-50-7- Standard SMILES
O=C1CSC(=S)N1c1cccc(F)c1- InChIKey
VXWKCDITSXADSD-UHFFFAOYSA-N- Molecular formula
- C9H6FNOS2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 226.98748432
Names & identifiers
- Preferred name
- 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- 3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
3-(3-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one56676-50-7DTXSID10314988RefChem:274159DTXCID702661113-fluorophenyl rhodanine3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-oneNSC2907343-(3-Fluoro-phenyl)-2-thioxo-thiazolidin-4-oneMLS001212111SCHEMBL1421163CHEMBL1597685
Show more names
VXWKCDITSXADSD-UHFFFAOYSA-NHMS2833H09STL417033AKOS000413808NSC-290734SMR000514289ST502313983-(3-fluorophenyl)-2-thioxothiazolidin-4-one
Database identifiers
- CAS
56676-50-7- PubChem CID
- 324634
- DTXSID
DTXSID10314988- ChEMBL
CHEMBL1597685
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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