11-((5Z)-5-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)undecanoic acid
Basic information
- CAS
624724-64-7- Standard SMILES
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S- InChIKey
QKUVUDFQMAHUES-QOMWVZHYSA-N- Molecular formula
- C30H32FN3O3S2
- Average molar mass
- 565.7 g/mol
- Monoisotopic mass
- 565.1869124
Names & identifiers
- Preferred name
- 11-((5Z)-5-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)undecanoic acid
- IUPAC
- 11-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
- English name
- SALOR-INT L419036-1EA
- Molecular formula
- C30H32FN3O3S2
- Molecular weight
- 565.72
Names & synonyms
624724-64-711-((5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid11-((5Z)-5-((3-(4-FLUOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)UNDECANOIC ACIDRefChem:437171638-555-111-(5-((3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acidSTK813516AKOS00219328111-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acidSALOR-INT L419036-1EA11-((5Z)-5-([3-(4-FLUOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)UNDECANOIC ACID
Database identifiers
- CAS
624724-64-7- PubChem CID
- 5933166
- EC Number
- 638-555-1
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 858
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…