Basic information
- Standard SMILES
CSC(=C[N+](=O)[O-])NCC(O)c1cccc(C)c1- InChIKey
DUSQGJLAGMYGHZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
Names & identifiers
- Preferred name
- 1-{[2-Hydroxy-2-(3-methylphenyl)ethyl]amino}-1-methylthio-2-nitroethene
- IUPAC
- 1-(3-methylphenyl)-2-[(1-methylsulfanyl-2-nitroethenyl)amino]ethanol
Names & synonyms
SCHEMBL9639777DUSQGJLAGMYGHZ-UHFFFAOYSA-N1-{[2-hydroxy-2-(3-methylphenyl)ethyl]amino}-1-methylthio-2-nitroethene
Database identifiers
- PubChem CID
- 67897280
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
3 records
Compound notes
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