ChemSpider 2D Image | imibenconazole | C17H13Cl3N4S

imibenconazole

  • Molecular FormulaC17H13Cl3N4S
  • Average mass411.736 Da
  • Monoisotopic mass409.992645 Da
  • ChemSpider ID21257418

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-1,2,4-Triazole-1-ethanimidothioic acid, N-(2,4-dichlorophenyl)-, (4-chlorophenyl)methyl ester [ACD/Index Name]
4-Chlorbenzyl-N-(2,4-dichlorphenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioat [ACD/IUPAC Name]
4-Chlorbenzyl-N-(2,4-dichlorphenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioat [German] [ACD/IUPAC Name]
4-Chlorobenzyl N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioate [ACD/IUPAC Name]
imibenconazole [BSI] [ISO]
N-(2,4-Dichlorophényl)-2-(1H-1,2,4-triazol-1-yl)éthanimidothioate de 4-chlorobenzyle [ACD/IUPAC Name]
N-(2,4-Dichlorophényl)-2-(1H-1,2,4-triazol-1-yl)éthanimidothioate de 4-chlorobenzyle [French] [ACD/IUPAC Name]
(4-Chlorophenyl)methyl N-(2,4-Dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioate
(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
[1-[(4-chlorobenzyl)thio]-2-(1,2,4-triazol-1-yl)ethylidene]-(2,4-dichlorophenyl)amine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KQY333M0BE [DBID]
HF 6305 [DBID]
HF 8505 [DBID]
UNII:KQY333M0BE [DBID]
UNII-KQY333M0BE [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of imidothioates that is the <stereo>S</stereo>-4-chlorobenzyl thioester of <element>N</element>-(2,4-dichlorophenyl)-2-(1<element>H</element>-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthwo rms but is relatively non-toxic to honey bees, birds and algae. ChEBI CHEBI:81767
      A member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affec ting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds an d algae. ChEBI CHEBI:81767

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 567.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7117.19
ACD/KOC (pH 5.5): 19908.95
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7118.59
ACD/KOC (pH 7.4): 19912.89
Polar Surface Area: 68 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 288.1±7.0 cm3

Click to predict properties on the Chemicalize site


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