5-(2H-Chromen-3-ylmethylene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
618076-44-1- Standard SMILES
CCCCCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S- InChIKey
YFDKBZAOKAAIAZ-LFIBNONCSA-N- Molecular formula
- C18H19NO2S2
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.0857212
Names & identifiers
- Preferred name
- 5-(2H-Chromen-3-ylmethylene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5E)-5-(2H-chromen-3-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L425478-1EA
- Molecular formula
- C18H19NO2S2
- Molecular weight
- 345.48
Names & synonyms
618076-44-1RefChem:5296575-(2H-Chromen-3-ylmethylene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one645-409-05-((2H-Chromen-3-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-one(5Z)-5-[(2H-chromen-3-yl)methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-oneSALOR-INT L425478-1EA4-Thiazolidinone, 5-(2H-1-benzopyran-3-ylmethylene)-3-pentyl-2-thioxo-
Database identifiers
- CAS
618076-44-1- PubChem CID
- 5897014
- EC Number
- 645-409-0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 491.2 · 491.2±55.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -2.91 · -2.91±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
Suppliers
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Related reactions
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Compound notes
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