Basic information
- Standard SMILES
CC[C@H](C)CN1C(=O)CSC1=Nc1ccc([N+](=O)[O-])cc1C- InChIKey
BBFCJFHXZWIERU-JTQLQIEISA-N- Molecular formula
- C15H19N3O3S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.11471265
Names & identifiers
- Preferred name
- 2-(2-methyl-4-nitrophenylimino)-3-((2S)-2-methyl-1-butyl)-1,3-thiazolidin-4-one
- IUPAC
- 3-[(2S)-2-methylbutyl]-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
Names & synonyms
SCHEMBL7115700BBFCJFHXZWIERU-JTQLQIEISA-N2-(2-methyl-4-nitrophenylimino)-3-((2S)-2-methyl-1-butyl)-1,3-thiazolidin-4-one2-(2-methyl-4-nitrophenylimino)-3-((2S)-2-methyl-1-butyl)-l ,3-thiazolidin4-one
Database identifiers
- PubChem CID
- 59113142
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Related reactions
1 records
Compound notes
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