N-(3,5-Dimethylphenyl)-2-((4-ET-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Basic information
- CAS
557069-58-6- Standard SMILES
CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccco1- InChIKey
NFUQSJOEMDKRTP-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.13069707
Names & identifiers
- Preferred name
- N-(3,5-Dimethylphenyl)-2-((4-ET-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
- IUPAC
- N-(3,5-dimethylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
557069-58-6N-(3,5-DIMETHYLPHENYL)-2-((4-ET-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDERefChem:825958649-181-3N-(3,5-Dimethylphenyl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(3,5-dimethylphenyl)-2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideBAS 04037818STL293723AKOS000647385ST50080862Z14370846N-(3,5-dimethylphenyl)-2-(4-ethyl-5-(2-furyl)(1,2,4-triazol-3-ylthio))acetamid e
Database identifiers
- CAS
557069-58-6- PubChem CID
- 3149094
- EC Number
- 649-181-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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