Basic information
- CAS
67637-12-1- Standard SMILES
Cc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1- InChIKey
XQAUZFHHMQOBRX-XNTDXEJSSA-N- Molecular formula
- C17H12N2O3S2
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.0289346
Names & identifiers
- Preferred name
- 5-{3-Nitrobenzylidene}-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5E)-3-(4-methylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-{3-nitrobenzylidene}-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C17H12N2O3S2
- Molecular weight
- 356.42
Names & synonyms
5-{3-nitrobenzylidene}-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-oneAKOS000413385(5E)-3-(4-methylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneAG-690/330780125-(3-Nitro-benzylidene)-2-thioxo-3-p-tolyl-thiazolidin-4-one4-Thiazolidinone, 3-(4-methylphenyl)-5-[(3-nitrophenyl)methylene]-2-thioxo-
Database identifiers
- CAS
67637-12-1- PubChem CID
- 2129792
- EC Number
- 152-289-9
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Melting point
- 212 °C · 212 °C
- Boiling point
- 534.7 · 534.7±60.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -0.77 · -0.77±0.20(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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