Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])c(SC)n1- InChIKey
PQAIXGAMLYFGPJ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3S
- Average molar mass
- 200.22 g/mol
Names & identifiers
- Preferred name
- 6-Methoxy-2-(methylthio)-3-nitropyridine
- IUPAC
- 6-methoxy-2-methylsulfanyl-3-nitropyridine
Names & synonyms
6-Methoxy-2-(methylthio)-3-nitropyridine225942-09-6SCHEMBL4987783PQAIXGAMLYFGPJ-UHFFFAOYSA-N6-methoxy-2-methylthio-3-nitropyridineDB-095572
Database identifiers
- PubChem CID
- 22592166
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
4 records
Compound notes
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