Basic information
- CAS
50626-26-1- Standard SMILES
COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1- InChIKey
HJUAEWHFTPLOTQ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Names & identifiers
- Preferred name
- 4-Methoxybenzaldehyde phenylsulfonylhydrazone
- IUPAC
- N-[(4-methoxyphenyl)methylideneamino]benzenesulfonamide
- English name
- N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]BENZENESULFONOHYDRAZIDE
- Molecular formula
- C14H14N2O3S
- Molecular weight
- 290.34
Names & synonyms
4-methoxybenzaldehyde phenylsulfonylhydrazoneN'-[(4-methoxyphenyl)methylidene]benzenesulfonohydrazideSCHEMBL6638932HJUAEWHFTPLOTQ-UHFFFAOYSA-NAKOS030240059NCI60_006932N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]BENZENESULFONOHYDRAZIDEBenzenesulfonic acid, 2-[(4-methoxyphenyl)methylene]hydrazideN'-[(1E)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide
Database identifiers
- CAS
50626-26-1- PubChem CID
- 360809
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 133 · 133-134.5 °C(Solvent: Methanol; Water)
- Boiling point
- 454.699 · 454.699±47.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.228 · 1.228±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.121 · 9.121±0.40(predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
1 records
Compound notes
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