N-(3,4-Dichlorophenyl)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
Basic information
- CAS
577986-10-8- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1- InChIKey
NDNHONXIDSPSOT-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2N5OS
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.0374367
Names & identifiers
- Preferred name
- N-(3,4-Dichlorophenyl)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
- IUPAC
- N-(3,4-dichlorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- English name
- SALOR-INT L367990-1EA
- Molecular formula
- C17H15Cl2N5OS
- Molecular weight
- 408.3
Names & synonyms
577986-10-8N-(3,4-dichlorophenyl)-2-{[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(3,4-Dichlorophenyl)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:825761649-305-6N-(3,4-Dichlorophenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideSALOR-INT L367990-1EASTL293910AKOS002189371N-(3,4-dichlorophenyl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideST50080984N-(3,4-dichlorophenyl)-2-(4-ethyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))acetam ide
Show more names
Acetamide, N-(3,4-dichlorophenyl)-2-[[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(3,4-DICHLOROPHENYL)-2-([4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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