Basic information
- CAS
306281-18-5- Standard SMILES
CCOC(=O)C1=C(C)NC(=S)NC1c1cn(-c2ccccc2)nc1-c1ccccc1- InChIKey
YEGXGQSCEIRUAR-UHFFFAOYSA-N- Molecular formula
- C23H22N4O2S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.14634713
Names & identifiers
- Preferred name
- Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-YL)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- IUPAC
- ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- SALOR-INT L439487-1EA
- Molecular formula
- C23H22N4O2S
- Molecular weight
- 418.51
Names & synonyms
306281-18-5ETHYL 4-(1,3-DIPHENYL-1H-PYRAZOL-4-YL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATERefChem:595176644-524-3ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5629-90-3ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylateCBMicro_026929CHEMBL2018933DTXSID50386265STK870540AKOS000525136
Show more names
SALOR-INT L439487-1EA5-Pyrimidinecarboxylic acid, 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester
AKOS016067478BIM-0026911.P001UPCMLD0ENAT0506-3882:001EU-0003180ST45197475ST50089702AG-690/34153051Z56813090
Database identifiers
- CAS
306281-18-5、5629-90-3
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- 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
Suppliers5 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]
IFLAB-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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