2-((5-(4-Tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(2,4,6-trimethoxyphenyl)methylidene)acetohydrazide
Basic information
- CAS
303105-57-9- Standard SMILES
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(OC)c1- InChIKey
BYESYTTUADUHFX-FDAWAROLSA-N- Molecular formula
- C30H33N5O4S
- Average molar mass
- 559.7 g/mol
- Monoisotopic mass
- 559.22532572
Names & identifiers
- Preferred name
- 2-((5-(4-Tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(2,4,6-trimethoxyphenyl)methylidene)acetohydrazide
- IUPAC
- 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
- English name
- 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
- Molecular formula
- C30H33N5O4S
- Molecular weight
- 559.68
Names & synonyms
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide2-((5-(4-Tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(2,4,6-trimethoxyphenyl)methylidene)acetohydrazideRefChem:449572303105-57-9652-587-3STL071024AKOS001615689(E)-2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2,4,6-trimethoxybenzylidene)acetohydrazide2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazideAcetic acid, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(2,4,6-trimethoxyphenyl)methylene]hydrazide
Database identifiers
- CAS
303105-57-9- PubChem CID
- 6868680
- EC Number
- 652-587-3
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 798
Physicochemical properties
- Density
- 1.212 · 1.212±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.999 · 10.999±0.46(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 38 reports by companies from 1 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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