Basic information
- CAS
89752-46-5- Standard SMILES
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1CNc1ccccc1[N+](=O)[O-]- InChIKey
XZLUJQVAAKOSIA-OQLLNIDSSA-N- Molecular formula
- C17H13N3O4S2
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.03474825
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 5-((4-hydroxyphenyl)methylene)-3-(((2-nitrophenyl)amino)methyl)-2-thioxo-
- IUPAC
- (5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(2-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
4-Thiazolidinone, 5-((4-hydroxyphenyl)methylene)-3-(((2-nitrophenyl)amino)methyl)-2-thioxo-89752-46-5RefChem:10717015-((4-Hydroxyphenyl)methylene)-3-(((2-nitrophenyl)amino)methyl)-2-thioxo-4-thiazolidinone
Database identifiers
- CAS
89752-46-5- PubChem CID
- 6366168
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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