4-((2-Bromobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide
Basic information
- CAS
497823-67-3- Standard SMILES
S=c1[nH]nc(-c2ccccn2)n1/N=C/c1ccccc1Br- InChIKey
FODKNWNJTLDAEB-RQZCQDPDSA-N- Molecular formula
- C14H10BrN5S
- Average molar mass
- 360.23 g/mol
- Monoisotopic mass
- 358.98403
Names & identifiers
- Preferred name
- 4-((2-Bromobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide
- IUPAC
- 4-[(E)-(2-bromophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L405922-1EA
- Molecular formula
- C14H10BrN5S
- Molecular weight
- 360.23
Names & synonyms
497823-67-34-((2-BROMOBENZYLIDENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDERefChem:508948643-254-34-((2-Bromobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiolSTK596778AKOS002175656AKOS005518491ST50058689(E)-4-((2-bromobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(2-bromophenyl)-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
SALOR-INT L405922-1EA3H-1,2,4-Triazole-3-thione, 4-[[(2-bromophenyl)methylene]amino]-2,4-dihydro-5-(2-pyridinyl)-
Database identifiers
- CAS
497823-67-3- PubChem CID
- 9664342
- EC Number
- 643-254-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 475.2 · 475.2±51.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 7.72 · 7.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- 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, 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
- H302-H319-H335-H315
- 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
Loading…