ChemSpider 2D Image | 5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicycloheptylcarbamimidothioate | C21H34N4S2

5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicycloheptylcarbamimidothioate

  • Molecular FormulaC21H34N4S2
  • Average mass406.651 Da
  • Monoisotopic mass406.222473 Da
  • ChemSpider ID23333367

More details:

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

5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicycloheptylcarbamimidothioate [ACD/IUPAC Name]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl-N,N'-dicycloheptylcarbamimidothioat [German] [ACD/IUPAC Name]
Carbamimidothioic acid, N,N'-dicycloheptyl-, (5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl ester [ACD/Index Name]
N,N'-Dicycloheptylcarbamimidothioate de 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylméthyle [French] [ACD/IUPAC Name]
1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
CHEMBL508054
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508054/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.4±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 136.64
ACD/KOC (pH 5.5): 341.20
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 2887.25
ACD/KOC (pH 7.4): 7209.69
Polar Surface Area: 91 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 310.4±7.0 cm3

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