(5Z)-5-(2H-Chromen-3-ylmethylene)-3-(2-(4-methoxyphenyl)ethyl)-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
618074-34-3- Standard SMILES
COc1ccc(CCN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1- InChIKey
IYZKZFASVXTOLE-MOSHPQCFSA-N- Molecular formula
- C22H19NO3S2
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.08063582
Names & identifiers
- Preferred name
- (5Z)-5-(2H-Chromen-3-ylmethylene)-3-(2-(4-methoxyphenyl)ethyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-(2H-chromen-3-ylmethylidene)-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L428809-1EA
- Molecular formula
- C22H19NO3S2
- Molecular weight
- 409.52
Names & synonyms
(5Z)-5-(2H-CHROMEN-3-YLMETHYLENE)-3-[2-(4-METHOXYPHENYL)ETHYL]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE(5Z)-5-(2H-Chromen-3-ylmethylene)-3-(2-(4-methoxyphenyl)ethyl)-2-thioxo-1,3-thiazolidin-4-oneRefChem:404817618074-34-3645-641-2NSC836394STK703709AKOS002194918NSC-836394(5Z)-5-(2H-chromen-3-ylmethylidene)-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-oneSALOR-INT L428809-1EA4-Thiazolidinone, 5-(2H-1-benzopyran-3-ylmethylene)-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-
Database identifiers
- CAS
618074-34-3- PubChem CID
- 6531076
- EC Number
- 645-641-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 667
Physicochemical properties
- Boiling point
- 589.4 · 589.4±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -3.04 · -3.04±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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