Basic information
- CAS
538337-61-0- Standard SMILES
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2cccc(Br)c2)cc1- InChIKey
MWONNKNRHHKAOI-UHFFFAOYSA-N- Molecular formula
- C25H23BrN4OS
- Average molar mass
- 507.4 g/mol
- Monoisotopic mass
- 506.0776
Names & identifiers
- Preferred name
- 2-((5-(3-Bromophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,4-dimethylphenyl)acetamide
- IUPAC
- 2-[[5-(3-bromophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
- English name
- SALOR-INT L443123-1EA
- Molecular formula
- C25H23BrN4OS
- Molecular weight
- 507.45
Names & synonyms
538337-61-02-{[5-(3-bromophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide2-((5-(3-Bromophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,4-dimethylphenyl)acetamideRefChem:449429644-800-32-((5-(3-Bromophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamideAKOS002169579ST50053587N-(2,4-dimethylphenyl)-2-[5-(3-bromophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3 -ylthio)]acetamideSALOR-INT L443123-1EAAcetamide, 2-[[5-(3-bromophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)-2-([5-(3-BROMOPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2,4-DIMETHYLPHENYL)ACETAMIDE
Database identifiers
- CAS
538337-61-0- PubChem CID
- 3669745
- EC Number
- 644-800-3
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 617
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H413
- 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
- H319-H315-H335-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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