Basic information
- CAS
477318-68-6- Standard SMILES
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2-c2ccncc2)cc1- InChIKey
WMGQJQSRQUJPDL-UHFFFAOYSA-N- Molecular formula
- C23H20BrN5OS
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 493.05719
Names & identifiers
- Preferred name
- N-(2-Bromo-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
- IUPAC
- N-(2-bromo-4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- N-(2-bromo-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- Molecular formula
- C23H20BrN5OS
- Molecular weight
- 494.41
Names & synonyms
477318-68-6N-(2-bromo-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(2-BROMO-4-METHYLPHENYL)-2-((4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDERefChem:825075647-986-4N-(2-Bromo-4-methylphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(2-bromo-4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamideSTK868856AKOS000591539N-(2-bromo-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideST50063040AG-690/40751619
Show more names
Acetamide, N-(2-bromo-4-methylphenyl)-2-[[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
N-(2-bromo-4-methylphenyl)-2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3 -ylthio)]acetamide
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H413-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H413-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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