3-(4-Methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
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Basic information
- CAS
5350-09-4- Standard SMILES
COc1ccc(N2C(=O)CSC2=S)cc1- InChIKey
BEYLABROUJKUBN-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.00747088
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- 3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C10H9NO2S2
- Molecular weight
- 239.31
Names & synonyms
5350-09-43-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one3-(4-Methoxyphenyl)-2-thioxothiazolidin-4-one3-(4-methoxyphenyl)-2-thioxo-4-ThiazolidinoneMFCD001260463-(4-Methoxyphenyl)-2-thioxo-thiazolidin-4-one3-(4-Methoxy-phenyl)-2-thioxo-thiazolidin-4-oneNSC3912Maybridge3_005813Oprea1_531578Oprea1_577207
Show more names
ST5050591IDI1_017200BAS 00469128ZINC01045049
N-(4-Methoxyphenyl)rhodanineCHEMBL462429SCHEMBL27806241DTXSID20277757HMS1447I05NSC-3912EBC-12646SBB038518
Database identifiers
- CAS
5350-09-4- PubChem CID
- 220736
- DTXSID
DTXSID20277757- ChEMBL
CHEMBL462429- Nikkaji
- J989.020C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 124 · 124-127 °C
- Boiling point
- 380.6 · 380.6±44.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- -0.08 · -0.08±0.20(Predicted)
- CAS DataBase Reference
- 5350 · 5350-09-4
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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