3-Amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
17521-20-9- Standard SMILES
NN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S- InChIKey
QTNCEBZYJGVYDL-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2OS2
- Average molar mass
- 270.8 g/mol
- Monoisotopic mass
- 269.9688329
Names & identifiers
- Preferred name
- 3-Amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-Amino-5-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one
- Molecular formula
- C10H7ClN2OS2
- Molecular weight
- 270.76
Names & synonyms
3-amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one17521-20-9SCHEMBL6785656DTXSID803334044-Thiazolidinone, 3-amino-5-[(4-chlorophenyl)methylene]-2-thioxo-3-Amino-5-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one
Database identifiers
- CAS
17521-20-9- PubChem CID
- 501622
- DTXSID
DTXSID80333404
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 434.441 · 434.441±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.611 · 1.611±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.351 · -3.351±0.20(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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