4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate
Basic information
- CAS
331460-57-2- Standard SMILES
O=C(Cc1ccccc1)Oc1ccc(N=Cc2cccs2)cc1- InChIKey
JKKRSJFVZLWASV-UHFFFAOYSA-N- Molecular formula
- C19H15NO2S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.08234989
Names & identifiers
- Preferred name
- 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate
- IUPAC
- [4-(thiophen-2-ylmethylideneamino)phenyl] 2-phenylacetate
- English name
- 4-[(E)-[(thiophen-2-yl)methylidene]amino]phenyl 2-phenylacetate
- Molecular formula
- C19H15NO2S
- Molecular weight
- 321.39
Names & synonyms
4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate[4-(thiophen-2-ylmethylideneamino)phenyl] 2-phenylacetate331460-57-2TimTec1_002349Oprea1_854234HMS1540K17AKOS005107140JS-0485ST0288794-((1E)-2-(2-thienyl)-1-azavinyl)phenyl 2-phenylacetate4-[(E)-[(thiophen-2-yl)methylidene]amino]phenyl 2-phenylacetateBenzeneacetic acid, 4-[(2-thienylmethylene)amino]phenyl ester
Show more names
PHENYL-ACETIC ACID 4-((THIOPHEN-2-YLMETHYLENE)-AMINO)-PHENYL ESTER
Database identifiers
- CAS
331460-57-2- PubChem CID
- 727043
- EC Number
- 150-953-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 505.2 · 505.2±40.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.50(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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