2-{[5-(4-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
Basic information
- CAS
303103-32-4- Standard SMILES
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c1- InChIKey
DHTRJAIUABGFFH-JFLMPSFJSA-N- Molecular formula
- C25H22BrN5O3S
- Average molar mass
- 552.4 g/mol
- Monoisotopic mass
- 551.06267
Names & identifiers
- Preferred name
- 2-{[5-(4-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
- IUPAC
- 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
- English name
- 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
- Molecular formula
- C25H22BrN5O3S
- Molecular weight
- 552.44288
Names & synonyms
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide2-((5-(4-BROMOPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(2,5-DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDERefChem:449465303103-32-4683-903-8STL071035AKOS001615541(E)-2-((5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
Database identifiers
- CAS
303103-32-4- PubChem CID
- 6869693
- EC Number
- 683-903-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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 38 reports by companies from 1 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
- H335-H319-H315
- Precautionary statements
- 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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