Basic information
- CAS
371139-87-6- Standard SMILES
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)C2c2ccc(C)cc2)cc1- InChIKey
RLSQGEHVIBRCTE-HTXNQAPBSA-N- Molecular formula
- C22H19N3O3S
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.11471265
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-YL)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L248401-1EA
- Molecular formula
- C22H19N3O3S
- Molecular weight
- 405.47
Names & synonyms
371139-87-6RefChem:5024133-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one649-967-63-Hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-methylbenzoyl)-5-(p-tolyl)-1H-pyrrol-2(5H)-oneOprea1_259882CCG-19946STK877162STL042191AKOS005695580AKOS016294665NCGC00302390-01
Show more names
SALOR-INT L248401-1EA2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-
EU-0010872AB00145554-03SR-01000487251SR-01000487251-1Z56864481(4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione3-hydroxy-5-(4-methylphenyl)-4-[(4-methylphenyl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
371139-87-6
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- Boiling point
- 599.1 · 599.1±60.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, 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
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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