Basic information
- Standard SMILES
CSc1ccc([N+](=O)[O-])cc1CO- InChIKey
ULJNXZATWRJFKY-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxymethyl-4-(methylthio)nitrobenzene
- IUPAC
- (2-methylsulfanyl-5-nitrophenyl)methanol
Names & synonyms
SCHEMBL6521172SCHEMBL16954139ULJNXZATWRJFKY-UHFFFAOYSA-NAKOS0131476313-Hydroxymethyl-4-(methylthio)nitrobenzene
Database identifiers
- PubChem CID
- 22316807
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
8 records
Compound notes
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