N'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-2-phenylacetohydrazide
Basic information
- CAS
329058-83-5- Standard SMILES
O=C(Cc1ccccc1)N/N=C/c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1- InChIKey
ZLDBKBKAESNNRF-UHFFFAOYSA-N- Molecular formula
- C21H23N3O3S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.14601278
Names & identifiers
- Preferred name
- N'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-2-phenylacetohydrazide
- IUPAC
- N-[(E)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide
- English name
- N'-([4-(CYCLOHEXYLSULFANYL)-3-NITROPHENYL]METHYLENE)-2-PHENYLACETOHYDRAZIDE
- Molecular formula
- C21H23N3O3S
- Molecular weight
- 397.49
Names & synonyms
329058-83-5N'-[(1E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-2-phenylacetohydrazideN'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-2-phenylacetohydrazideMFCD00955015AKOS005105672JS-1328ST012221N-[(1E)-2-(4-cyclohexylthio-3-nitrophenyl)-1-azavinyl]-2-phenylacetamideN'-{(E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene}-2-phenylacetohydrazideN-[(E)-(4-cyclohexylsulfanyl-3-nitro-phenyl)methyleneamino]-2-phenyl-acetamideN-[(E)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide2-PHENYL-ACETIC ACID (4-CYCLOHEXYLSULFANYL-3-NITRO-BENZYLIDENE)-HYDRAZIDE
Show more names
N'-([4-(CYCLOHEXYLSULFANYL)-3-NITROPHENYL]METHYLENE)-2-PHENYLACETOHYDRAZIDEBenzeneacetic acid, 2-[[4-(cyclohexylthio)-3-nitrophenyl]methylene]hydrazide
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 13.16 · 13.16±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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