3-Ethyl-5-(1-ethyl-2-quinolinylidene)-2-sulfanylidene-4-thiazolidinone
Basic information
- CAS
4095-74-3- Standard SMILES
CCN1C(=O)C(=C2C=Cc3ccccc3N2CC)SC1=S- InChIKey
MHMKWRMLSVEIRZ-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.07040549
Names & identifiers
- Preferred name
- 3-Ethyl-5-(1-ethyl-2-quinolinylidene)-2-sulfanylidene-4-thiazolidinone
- IUPAC
- 3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 4-Thiazolidinone, 3-ethyl-5-(1-ethyl-2(1H)-quinolinylidene)-2-thioxo-
- Molecular formula
- C16H16N2OS2
- Molecular weight
- 316.44
Names & synonyms
4095-74-33-ethyl-5-(1-ethyl-2-quinolinylidene)-2-sulfanylidene-4-thiazolidinone3-Ethyl-5-(1-ethylquinolin-2(1H)-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one3-Ethyl-5-(1-ethylquinolin-2(1H)-ylidene)-2-thioxothiazolidin-4-oneChemDiv3_0005693-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-oneOprea1_391967SCHEMBL11691429DTXSID803624964-Thiazolidinone, 3-ethyl-5-(1-ethyl-2(1H)-quinolinylidene)-2-thioxo-Q272090683-ETHYL-5-(1-ETHYL-1H-QUINOLIN-2-YLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE
Database identifiers
- CAS
4095-74-3- PubChem CID
- 1380752
- DTXSID
DTXSID80362496- EC Number
- 163-496-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Melting point
- 194 · 194-196 °C (decomp)
- Boiling point
- 411.5 · 411.5±55.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -2.03 · -2.03±0.20(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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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