ChemSpider 2D Image | (6,6-Dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate | C21H34N4S2

(6,6-Dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate

  • Molecular FormulaC21H34N4S2
  • Average mass406.651 Da
  • Monoisotopic mass406.222473 Da
  • ChemSpider ID23333512

More details:






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

(6,6-Dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate [ACD/IUPAC Name]
(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
(6,6-Dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl-N,N'-dicyclohexylcarbamimidothioat [German] [ACD/IUPAC Name]
Carbamimidothioic acid, N,N'-dicyclohexyl-, (5,6-dihydro-6,6-dimethylimidazo[2,1-b]thiazol-3-yl)methyl ester [ACD/Index Name]
N,N'-Dicyclohexylcarbamimidothioate de (6,6-diméthyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)méthyle [French] [ACD/IUPAC Name]
1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
6-dimethyl-5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}methyl)sulfanyl]methanimidamide
864677-55-4 [RN]
CHEMBL460491
isothiourea-1t

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 529.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.2±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 88.37
ACD/KOC (pH 5.5): 247.43
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 1951.04
ACD/KOC (pH 7.4): 5463.02
Polar Surface Area: 91 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 314.0±7.0 cm3

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