Basic information
- CAS
101113-19-3- Standard SMILES
COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1O- InChIKey
KUIFSWAFSKZRSU-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.08307817
Names & identifiers
- Preferred name
- 2-Morpholino-5-(3-methoxy-4-hydroxybenzylidene)-2-thiazoline-4-one
- IUPAC
- (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
- English name
- 5-(4-hydroxy-3-methoxybenzylidene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
- Molecular formula
- C15H16N2O4S
- Molecular weight
- 320.37
Names & synonyms
5-(4-hydroxy-3-methoxybenzylidene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one2-Morpholino-5-(3-methoxy-4-hydroxybenzylidene)-2-thiazoline-4-one(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-oneAG-690/37231013Z57245146(5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one101113-19-3
Database identifiers
- CAS
101113-19-3- PubChem CID
- 697365
- EC Number
- 140-440-1
- Nikkaji
- J2.489.284K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 508.366 · 508.366±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.422 · 1.422±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.19 · 9.190±0.35(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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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