N(4-(Acetylamino)PH)2-((4-ET-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)acetamide
Basic information
- CAS
557065-79-9- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1cccnc1- InChIKey
JBRBPAZVFZQFIF-UHFFFAOYSA-N- Molecular formula
- C19H20N6O2S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.13684508
Names & identifiers
- Preferred name
- N(4-(Acetylamino)PH)2-((4-ET-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)acetamide
- IUPAC
- N-(4-acetamidophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- English name
- SALOR-INT L464228-1EA
- Molecular formula
- C19H20N6O2S
- Molecular weight
- 396.47
Names & synonyms
557065-79-9N(4-(ACETYLAMINO)PH)2-((4-ET-5-(3-PYRIDINYL)4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDERefChem:821408656-284-7N-(4-Acetamidophenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-[4-(acetylamino)phenyl]-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideBAS 04027522STL293951AKOS000647776N-(4-acetamidophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamideST50081000N-[4-(acetylamino)phenyl]-2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))ace tamide
Show more names
SALOR-INT L464228-1EAAcetamide, N-[4-(acetylamino)phenyl]-2-[[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
N-[4-(acetylamino)phenyl]-2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Database identifiers
- CAS
557065-79-9- PubChem CID
- 2963441
- EC Number
- 656-284-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 12.41 · 12.41±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- 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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