Basic information
- CAS
62128-00-1- Standard SMILES
CCOc1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1- InChIKey
VIOAMLZLMXNMNS-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S
- Average molar mass
- 276.31 g/mol
- Monoisotopic mass
- 276.05686342
Names & identifiers
- Preferred name
- 4-ethoxy-N-[(5-nitro-2-thienyl)methylene]aniline
- IUPAC
- N-(4-ethoxyphenyl)-1-(5-nitrothiophen-2-yl)methanimine
- English name
- 4-ethoxy-N-[(5-nitro-2-thienyl)methylene]aniline
- Molecular formula
- C13H12N2O3S
- Molecular weight
- 276.31
Names & synonyms
62128-00-14-ethoxy-N-[(5-nitro-2-thienyl)methylene]anilineBenzenamine, 4-ethoxy-N-[(5-nitro-2-thienyl)methylene]-AG-205/09984001N-(4-ethoxyphenyl)-1-(5-nitrothiophen-2-yl)methanimineDTXSID70351197(E)-N-(4-ethoxyphenyl)-1-(5-nitrothiophen-2-yl)methanimineSTK031172AKOS000483172ST035671AG-205/12761133SR-01000315581
Show more names
(4-ethoxyphenyl)[(5-nitro-2-thienyl)methylene]amine
SR-01000315581-14-ethoxy-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline1-[(1E)-2-(5-nitro(2-thienyl))-1-azavinyl]-4-ethoxybenzene
Database identifiers
- CAS
62128-00-1- PubChem CID
- 693192
- DTXSID
DTXSID70351197
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 446 · 446.0±40.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.50(Predicted)
Chemistry & industry
Suppliers2 total
ARONIS[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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