Basic information
- CAS
882080-08-2- Standard SMILES
O=C(CSc1ccc(N=Cc2ccccc2O)cc1)Nc1ccc(F)c(Cl)c1- InChIKey
MTLRRJMMBZUJBG-UHFFFAOYSA-N- Molecular formula
- C21H16ClFN2O2S
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.0605048
Names & identifiers
- Preferred name
- N-(3-chloro-4-fluorophenyl)-2-[(4-{[(2-hydroxyphenyl)methylene]amino}phenyl)sulfanyl]acetamide
- IUPAC
- N-(3-chloro-4-fluorophenyl)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamide
- English name
- N-(3-Chloro-4-fluorophenyl)-2-[(4-([(2-hydroxyphenyl)methylene]amino)phenyl)sulfanyl]acetamide
- Molecular formula
- C21H16ClFN2O2S
- Molecular weight
- 414.88
Names & synonyms
882080-08-2N-(3-chloro-4-fluorophenyl)-2-({4-[(E)-[(2-hydroxyphenyl)methylidene]amino]phenyl}sulfanyl)acetamideN-(3-chloro-4-fluorophenyl)-2-[(4-{[(2-hydroxyphenyl)methylene]amino}phenyl)sulfanyl]acetamideN-(3-chloro-4-fluorophenyl)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamideSCHEMBL12417094AKOS005108955JS-2040N-(3-CL-4-FLUOROPHENYL)-2-((4-((2-HYDROXYBENZYLIDENE)AMINO)PHENYL)THIO)ACETAMIDESALOR-INT L157260-1EAAcetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-[[(2-hydroxyphenyl)methylene]amino]phenyl]thio]-N-(3-Chloro-4-fluorophenyl)-2-[(4-([(2-hydroxyphenyl)methylene]amino)phenyl)sulfanyl]acetamide
Database identifiers
- CAS
882080-08-2- PubChem CID
- 4100937
- EC Number
- 115-052-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 634.229 · 634.229±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.314 · 1.314±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.358 · 8.358±0.30(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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[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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