(3Z)-5-Bromo-1-butyl-3-(3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
618077-65-9- Standard SMILES
CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21- InChIKey
VPSQTGQBUWTVFW-VXPUYCOJSA-N- Molecular formula
- C23H21BrN2O3S2
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 516.0177
Names & identifiers
- Preferred name
- (3Z)-5-Bromo-1-butyl-3-(3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
- IUPAC
- (5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L426288-1EA
- Molecular formula
- C23H21BrN2O3S2
- Molecular weight
- 517.46
Names & synonyms
618077-65-9(3Z)-5-bromo-1-butyl-3-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one(3Z)-5-Bromo-1-butyl-3-(3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-oneRefChem:401688645-461-45-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-oneSTK814145AKOS002194077SALOR-INT L426288-1EA2H-Indol-2-one, 5-bromo-1-butyl-1,3-dihydro-3-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-
Database identifiers
- CAS
618077-65-9- PubChem CID
- 5844501
- EC Number
- 645-461-4
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 766
Physicochemical properties
- Boiling point
- 590.907 · 590.907±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.576 · 1.576±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.856 · -2.856±0.20(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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