Pyridaben

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Systematic / IUPAC Name: 4-Chloro-2-(2-methyl-2-propanyl)-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-3(2H)-pyridazinone

ID: Reference2325

Other Names: Sanmite;
2-tert-Butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one;
3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-({[4-(1,1-dimethylethyl)phenyl]methyl}thio)-;
4-Chloro-2-(1,1-dimethylethyl)-5-({[4-(1,1-dimethylethyl)phenyl]methyl}thio)-3(2H)-pyridazinone;
2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one

Formula: C19H25ClN2OS

Class: Pesticides/Herbicides

Spectral Data

Pyridaben mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2015 10:52:57 AM
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Identificators

InChI InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
InChI Key DWFZBUWUXWZWKD-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
CAS 96489713
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Other Names Sanmite;
2-tert-Butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one;
3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-({[4-(1,1-dimethylethyl)phenyl]methyl}thio)-;
4-Chloro-2-(1,1-dimethylethyl)-5-({[4-(1,1-dimethylethyl)phenyl]methyl}thio)-3(2H)-pyridazinone;
2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one;
2-tert-Butyl-5-[(4-tert-butylbenzyl)sulfanyl]-4-chloro-3(2H)-pyridazinone

In Other Databases

ChemIDPlus 096489713
KEGG C18614
ChEBI CHEBI:38626
ChemSpider 82852
ChEMBL CHEMBL225963
Wikipedia Pyridaben (DE)
PubChem 91754