Basic information
- CAS
577764-94-4- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccn1- InChIKey
BDMSAUAPRAIVMP-UHFFFAOYSA-N- Molecular formula
- C17H16ClN5OS
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.076409
Names & identifiers
- Preferred name
- N-(4-CL-PH)-2-((4-Ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
- IUPAC
- N-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- English name
- SALOR-INT L367583-1EA
- Molecular formula
- C17H16ClN5OS
- Molecular weight
- 373.86
Names & synonyms
577764-94-4N-(4-CL-PH)-2-((4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDERefChem:827504649-102-2N-(4-chlorophenyl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(4-Chlorophenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideHMS5218M21STK400957AKOS002189604N-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamideST50080946N-(4-chlorophenyl)-2-(4-ethyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
Show more names
SALOR-INT L367583-1EAAcetamide, N-(4-chlorophenyl)-2-[[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
N-(4-chlorophenyl)-2-{[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-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
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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