Basic information
- CAS
617698-15-4- Standard SMILES
CCCN1C(=O)/C(=C2\SC(=S)N(C(C)CC)C2=O)c2cc(Br)ccc21- InChIKey
MQGFJPYREDCVNT-PFONDFGASA-N- Molecular formula
- C18H19BrN2O2S2
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 438.00713
Names & identifiers
- Preferred name
- (3Z)-5-Bromo-3-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-propyl-1,3-dihydro-2H-indol-2-one
- IUPAC
- (5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-butan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L419516-1EA
- Molecular formula
- C18H19BrN2O2S2
- Molecular weight
- 439.39
Names & synonyms
617698-15-4(3Z)-5-BROMO-3-(3-SEC-BUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-1-PROPYL-1,3-DIHYDRO-2H-INDOL-2-ONERefChem:401739638-548-35-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-(sec-butyl)-2-thioxothiazolidin-4-one(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-butan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-oneSTK813566AKOS002193284AKOS016067658ST50090128(3Z)-5-bromo-3-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-oneSALOR-INT L419516-1EA
Show more names
2H-Indol-2-one, 5-bromo-1,3-dihydro-3-[3-(1-methylpropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]-1-propyl-
Database identifiers
- CAS
617698-15-4- PubChem CID
- 5854075
- EC Number
- 638-548-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 485.6 · 485.6±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -2.82 · -2.82±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
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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