(3Z)-1-Allyl-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
611185-70-7- Standard SMILES
C=CCN1C(=O)/C(=C2\SC(=S)N(CCCCC)C2=O)c2ccccc21- InChIKey
ZBBJGHUTCAJOJQ-NXVVXOECSA-N- Molecular formula
- C19H20N2O2S2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.09662023
Names & identifiers
- Preferred name
- (3Z)-1-Allyl-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
- IUPAC
- (5Z)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L254355-1EA
- Molecular formula
- C19H20N2O2S2
- Molecular weight
- 372.51
Names & synonyms
611185-70-7(3Z)-1-allyl-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-oneRefChem:401622651-580-25-(1-Allyl-2-oxoindolin-3-ylidene)-3-pentyl-2-thioxothiazolidin-4-oneSTK809137AKOS002162552(3Z)-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-oneSALOR-INT L254355-1EA2H-Indol-2-one, 1,3-dihydro-3-(4-oxo-3-pentyl-2-thioxo-5-thiazolidinylidene)-1-(2-propen-1-yl)-
Database identifiers
- CAS
611185-70-7- PubChem CID
- 6014684
- EC Number
- 651-580-2
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
Physicochemical properties
- Boiling point
- 455.7 · 455.7±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -2.04 · -2.04±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
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Related reactions
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Compound notes
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