Basic information
- CAS
617695-05-3- Standard SMILES
Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(C(C)c4ccccc4)C3=O)c3ccccc32)cc1- InChIKey
QJSGCHBLUQUWOI-VHXPQNKSSA-N- Molecular formula
- C27H22N2O2S2
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.1122703
Names & identifiers
- Preferred name
- (3Z)-1-(4-Methylbenzyl)-3-(4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
- IUPAC
- (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L438391-1EA
- Molecular formula
- C27H22N2O2S2
- Molecular weight
- 470.61
Names & synonyms
(3Z)-1-(4-methylbenzyl)-3-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one617695-05-3(3Z)-1-(4-Methylbenzyl)-3-(4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-oneRefChem:401615644-264-0STK880810AKOS002196000AKOS016067445SALOR-INT L438391-1EA
Database identifiers
- CAS
617695-05-3- PubChem CID
- 6074077
- EC Number
- 644-264-0
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 826
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…