Chemical Properties of imibenconazole (CAS 86598-92-7)

imibenconazole

InChI
InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
InChI Key
AGKSTYPVMZODRV-UHFFFAOYSA-N
Formula
C17H13Cl3N4S
SMILES
Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1
Molecular Weight1
411.74
CAS
86598-92-7
Other Names
  • 1H-1,2,4-Triazole-1-ethanimidothioic acid, N-(2,4-dichlorophenyl)-, S-[(4-chlorophenyl)methyl] ester
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Physical Properties

Property Value Unit Source
ω 0.7159 Relay (1.0) Calculated Property
ΔfG° 490.02 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 431.17 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 137.79 kJ/mol Relay (1.0) Calculated Property
IE 8.59 eV Relay (1.0) Calculated Property
log10WS -5.74 Relay (1.0) Calculated Property
logPoct/wat 5.902 Crippen Calculated Property
McVol 272.100 ml/mol McGowan Calculated Property
Pc 2365.42 kPa Relay (1.0-beta) Calculated Property
Inp 3187.00 NIST
Tboil 709.69 K Relay (1.0) Calculated Property
Tc 1059.55 K Relay (1.0) Calculated Property
Tfus 356.97 K Relay (1.0) Calculated Property
Vc 0.949 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Hydroxy-N-methylcytisine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. azadirachtin. Senecionine, 12-acetyl. 21-Hydroxyintergerrimine. Benazepril Me. (E)-Eruciflorine. Acetylgynuramine. Eruciflorine. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Dehydrocytisine. Diltiazem. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to imibenconazole.

Sources

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