3-(4-Ethoxyphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
19334-80-6- Standard SMILES
CCCC1SC(=S)N(c2ccc(OCC)cc2)C1=O- InChIKey
JUBVCCTUSMVTKY-UHFFFAOYSA-N- Molecular formula
- C14H17NO2S2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.07007113
Names & identifiers
- Preferred name
- 3-(4-Ethoxyphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-(4-ethoxyphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(p-Ethoxyphenyl)-5-propylrhodanine
- Molecular formula
- C14H17NO2S2
- Molecular weight
- 295.42
Names & synonyms
19334-80-63-(4-ethoxyphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID10941011RefChem:1066846DTXCID1013694623-(p-Ethoxyphenyl)-5-propylrhodanineBRN 1131900Rhodanine, 3-(p-ethoxyphenyl)-5-propyl-4-Thiazolidinone, 3-(4-ethoxyphenyl)-5-propyl-2-thioxo-
Database identifiers
- CAS
19334-80-6- PubChem CID
- 209145
- DTXSID
DTXSID10941011
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 419.1 · 419.1±47.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 0.03 · 0.03±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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