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Basic information
- CAS
1009770-18-6- Standard SMILES
O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S- Molecular formula
- C21H14ClN3O3S2
- Average molar mass
- 455.94 g/mol
Names & identifiers
- Preferred name
- 2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
- English name
- 2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
- Molecular formula
- C21H14ClN3O3S2
- Molecular weight
- 455.94
Names & synonyms
3-Thiazolidineacetic acid, 5-[[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-(5-{[3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ACETIC ACID2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Database identifiers
- CAS
1009770-18-6- PubChem CID
- 2005372
- ChEMBL
CHEMBL1935338- EC Number
- 664-200-5
Properties
Physicochemical properties
- Melting point
- 312 · 312-314 °C
- Boiling point
- 684.5 · 684.5±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
- Hazard statements
- 413 · H413
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 statements
- H413
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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