Basic information
- CAS
483327-14-6- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1- InChIKey
SKPTWZHOKBZFTO-UHFFFAOYSA-N- Molecular formula
- C17H16FN5OS
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.10595949
Names & identifiers
- Preferred name
- 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
- IUPAC
- 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
- English name
- SALOR-INT L368164-1EA
- Molecular formula
- C17H16FN5OS
- Molecular weight
- 357.41
Names & synonyms
483327-14-6RefChem:4490882-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide649-326-02-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide2-((4-Ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamideSTK251566AKOS0005697332-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamideST500810092-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(4-fluorophenyl)acetamide2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Show more names
SALOR-INT L368164-1EAAcetamide, 2-[[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)-
2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(4-fluorophenyl)acetamide
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 11.93 · 11.93±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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