2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-phenylacetamide

HCID 5113980

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 539808-22-5
Standard SMILES: Cc1ccc(-n2c(COc3ccc(C(C)(C)C)cc3)nnc2SCC(=O)Nc2ccccc2)cc1
InChIKey: JPRHFKGOZGDTTH-UHFFFAOYSA-N
Molecular formula: C28H30N4O2S
Average molar mass: 486.6 g/mol
Monoisotopic mass: 486.20894739

Names & identifiers

Preferred name: 2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-phenylacetamide
IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
English name: SALOR-INT L443875-1EA
Molecular formula: C28H30N4O2S
Molecular weight: 486.63

Names & synonyms

539808-22-52-({5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-PHENYLACETAMIDERefChem:449408644-767-52-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamideSTK680088AKOS016365399SALOR-INT L443875-1EA2-([5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-PHENYLACETAMIDE

Database identifiers

CAS: 539808-22-5
PubChem CID: 5113980
EC Number: 644-767-5

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 94.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 650

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335-H413
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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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-H413
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…