2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
Basic information
- CAS
618880-35-6- Standard SMILES
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccn1- InChIKey
CSCYNNDKOUWWJA-UHFFFAOYSA-N- Molecular formula
- C20H20ClN5OS
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1077091
Names & identifiers
- Preferred name
- 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
- IUPAC
- N-(2-chloro-4,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- English name
- SALOR-INT L415340-1EA
- Molecular formula
- C20H20ClN5OS
- Molecular weight
- 413.92
Names & synonyms
618880-35-62-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-CHLORO-4,6-DIMETHYLPHENYL)ACETAMIDE2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamideRefChem:448728637-482-22-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamideN-(2-chloro-4,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideSTL338972AKOS002190126ST50081633N-(2-chloro-4,6-dimethylphenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-triazol-3 -ylthio))acetamideSALOR-INT L415340-1EA
Show more names
2-([4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-CHLORO-4,6-DIMETHYLPHENYL)ACETAMIDEAcetamide, N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(2-propen-1-yl)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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