4-(((1,1'-Biphenyl)-4-ylmethylene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
573929-61-0- Standard SMILES
Fc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc1- InChIKey
QDPLWMDGFNWRRB-OEAKJJBVSA-N- Molecular formula
- C21H15FN4S
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.10014583
Names & identifiers
- Preferred name
- 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(4-fluorophenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L406287-1EA
- Molecular formula
- C21H15FN4S
- Molecular weight
- 374.44
Names & synonyms
573929-61-0RefChem:5084904-(((1,1'-Biphenyl)-4-ylmethylene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol643-307-04-(([1,1'-Biphenyl]-4-ylmethylene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thioneSTK582976AKOS005506677AKOS024320250ST504231104-[(1E)-2-(4-phenylphenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-thi ol(E)-4-(([1,1'-biphenyl]-4-ylmethylene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol4-{[(E)-[1,1'-biphenyl]-4-ylmethylidene]amino}-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Show more names
SALOR-INT L406287-1EA3H-1,2,4-Triazole-3-thione, 4-[([1,1'-biphenyl]-4-ylmethylene)amino]-5-(4-fluorophenyl)-2,4-dihydro-
4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
573929-61-0- PubChem CID
- 9636726
- EC Number
- 643-307-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Boiling point
- 502.5 · 502.5±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 7.95 · 7.95±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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