Basic information
- CAS
478258-06-9- Standard SMILES
CSc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1- InChIKey
GHGIUHFIQSNOLU-UHFFFAOYSA-N- Molecular formula
- C16H14FNOS
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.07801341
Names & identifiers
- Preferred name
- N-(4-Fluorophenyl)-3-(4-(methylthio)phenyl)acrylamide
- IUPAC
- (E)-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
- English name
- (E)-N-(4-Fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-2-propenamide
- Molecular formula
- C16H14FNOS
- Molecular weight
- 287.35
Names & synonyms
N-(4-Fluorophenyl)-3-(4-(methylthio)phenyl)acrylamide478258-06-9RefChem:827654646-615-3(E)-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide(E)-N-(4-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-2-propenamideAKOS005108345JS-2413(2E)-N-(4-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-2-propenamide(2E)-N-(4-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-enamideSALOR-INT L232491-1EA2-Propenamide, N-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-
Database identifiers
- CAS
478258-06-9- PubChem CID
- 6082002
- EC Number
- 646-615-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 493.831 · 493.831±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.238 · 1.238±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.814 · 12.814±0.70(predicted)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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