Basic information
- CAS
482640-17-5- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccncc1- InChIKey
IQXGNWNOBPDKGX-UHFFFAOYSA-N- Molecular formula
- C17H16BrN5OS
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.02589
Names & identifiers
- Preferred name
- N-(4-BR-PH)-2-((4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
- IUPAC
- N-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- English name
- SALOR-INT L369128-1EA
- Molecular formula
- C17H16BrN5OS
- Molecular weight
- 418.31
Names & synonyms
482640-17-5RefChem:827170N-(4-BR-PH)-2-((4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide650-420-9N-(4-bromophenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(4-Bromophenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamideSTL358063ZINC00648821AKOS000591331N-(4-bromophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideST50081113
Show more names
SALOR-INT L369128-1EAAcetamide, N-(4-bromophenyl)-2-[[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
AG-690/40751612N-(4-bromophenyl)-2-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
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
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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