chempirical

Pyridaben

C19H25ClN2OSCAS 96489-71-3364.93 g/mol

Open in Covalent MOL file
SNNOCl
Aryl halideSulfide

Properties

Molecular formula
C19H25ClN2OS
Molar mass
364.93 g/mol
Exact mass
364.1376 Da
Density
1.2 g/mL (at 20 °C)
Melting point
111–112 °C
logP
5.24Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
96489-71-3
SMILES
CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
InChIKey
DWFZBUWUXWZWKD-UHFFFAOYSA-N
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

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • 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
  • NCI 129
  • NC 129
  • Sanmite
  • Nexter
  • Damanlin
  • BAS 300
  • 2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one
  • Pyramite
  • GWN 1715

Work with Pyridaben

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tebufenpyrad119168-77-333 % similar Bourgeonal18127-01-033 % similar 4-tert-Butylbenzyl chloride19692-45-633 % similar 4-tert-Butylbenzyl bromide18880-00-730 % similar 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-130 % similar 4-tert-Butylbenzyl alcohol877-65-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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