Basic information
- Standard SMILES
CCCCSc1ccc(NC(C)=O)c([N+](=O)[O-])c1- InChIKey
FKVSLDGRKKUCDN-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
Names & identifiers
- Preferred name
- 1-Acetamido-4-n-butylthio-2-nitrobenzene
- IUPAC
- N-(4-butylsulfanyl-2-nitrophenyl)acetamide
Names & synonyms
SCHEMBL11660548FKVSLDGRKKUCDN-UHFFFAOYSA-N1-acetamido-4-n-butylthio-2-nitrobenzene
Database identifiers
- PubChem CID
- 53804697
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
2 records
Compound notes
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