Basic information
- CAS
477731-07-0- Standard SMILES
CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1- InChIKey
UEILDTJIWLTXGF-LPYMAVHISA-N- Molecular formula
- C20H21N5S
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.15176686
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
- IUPAC
- 1-ethyl-3-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Names & synonyms
477731-07-03-(4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE N-ETHYLTHIOSEMICARBAZONERefChem:493307647-508-4N-Ethyl-2-((1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)methylene)hydrazinecarbothioamideAKOS024408274
Database identifiers
- CAS
477731-07-0- PubChem CID
- 9681972
- EC Number
- 647-508-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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