2-((4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-methylphenyl)acetamide
Basic information
- CAS
557069-38-2- Standard SMILES
CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccco1- InChIKey
OFYQUGGNMFYVNO-UHFFFAOYSA-N- Molecular formula
- C17H18N4O2S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.115047
Names & identifiers
- Preferred name
- 2-((4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-methylphenyl)acetamide
- IUPAC
- 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
- English name
- SALOR-INT L366781-1EA
- Molecular formula
- C17H18N4O2S
- Molecular weight
- 342.42
Names & synonyms
557069-38-2RefChem:4491162-((4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-methylphenyl)acetamide649-182-92-((4-Ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamideBAS 04037692CHEMBL5497688STL293718AKOS000647641ST50080861Z14370511
Show more names
SALOR-INT L366781-1EAAcetamide, 2-[[4-ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)-
2-(4-ethyl-5-(2-furyl)(1,2,4-triazol-3-ylthio))-N-(3-methylphenyl)acetamide2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Database identifiers
- CAS
557069-38-2- PubChem CID
- 3149093
- ChEMBL
CHEMBL5497688- EC Number
- 649-182-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 13 · 13.00±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-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, 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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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