Basic information
- Standard SMILES
Nc1cc([N+](=O)[O-])ccc1SCCCCl- InChIKey
KCYXGOXECGHCQY-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2S
- Average molar mass
- 246.71 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloropropylthio)-5-nitrobenzenamine
- IUPAC
- 2-(3-chloropropylsulfanyl)-5-nitroaniline
Names & synonyms
SCHEMBL4768634KCYXGOXECGHCQY-UHFFFAOYSA-N2-(3-chloropropylthio)-5-nitrobenzenamine2-[(3-Chloropropyl)sulfanyl]-5-nitrophenylamine
Database identifiers
- PubChem CID
- 22735541
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
5 records
Compound notes
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