N-(2,6-Dimethylphenyl)-2-((4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide

HCID 995293

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Basic information

CAS: 482640-16-4
Standard SMILES: CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1
InChIKey: PWSYYEYYQRUNKP-UHFFFAOYSA-N
Molecular formula: C19H21N5OS
Average molar mass: 367.5 g/mol
Monoisotopic mass: 367.14668148

Names & identifiers

Preferred name: N-(2,6-Dimethylphenyl)-2-((4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
IUPAC: N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
English name: N-(2,6-dimethylphenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Molecular formula: C19H21N5OS
Molecular weight: 367.47

Names & synonyms

482640-16-4N-(2,6-dimethylphenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(2,6-Dimethylphenyl)-2-((4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:824186643-699-3N-(2,6-Dimethylphenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideSTL358072AKOS000591824N-(2,6-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideST50081147AG-690/40751611Z16262219

Show more names

Acetamide, N-(2,6-dimethylphenyl)-2-[[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-

N-(2,6-dimethylphenyl)-2-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acetam ide

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 98 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 449

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
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 · 4 items

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-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers3 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]

Related reactions

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Compound notes

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