N-(2,4-Difluorophenyl)-2-((4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
Basic information
- CAS
618411-91-9- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccs1- InChIKey
KGKHFRSQPIMLDX-UHFFFAOYSA-N- Molecular formula
- C16H14F2N4OS2
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.05770975
Names & identifiers
- Preferred name
- N-(2,4-Difluorophenyl)-2-((4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
- IUPAC
- N-(2,4-difluorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Names & synonyms
618411-91-9N-(2,4-difluorophenyl)-2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(2,4-Difluorophenyl)-2-((4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:823934649-539-9N-(2,4-Difluorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(2,4-difluorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideZINC01077424CBKinase1_008754CBKinase1_021154STL199380AKOS001123784
Show more names
N-(2,4-difluorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamideSR-01000284269SR-01000284269-1BRD-K16802996-001-01-0Z14380671N-(2,4-difluorophenyl)-2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Database identifiers
- CAS
618411-91-9- PubChem CID
- 1264892
- EC Number
- 649-539-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
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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