ChemSpider 2D Image | 1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,1-dioxidotetrahydro-3-thiophenyl)thiourea | C11H15N3O3S3

1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,1-dioxidotetrahydro-3-thiophenyl)thiourea

  • Molecular FormulaC11H15N3O3S3
  • Average mass333.450 Da
  • Monoisotopic mass333.027557 Da
  • ChemSpider ID57255041

More details:

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

1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,1-dioxidotetrahydro-3-thiophenyl)thioharnstoff [German] [ACD/IUPAC Name]
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,1-dioxidotetrahydro-3-thiophenyl)thiourea [ACD/IUPAC Name]
1-(5-Acétyl-4-méthyl-1,3-thiazol-2-yl)-3-(1,1-dioxydotétrahydro-3-thiophényl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(5-acetyl-4-methyl-2-thiazolyl)-N'-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
MFCD29908719
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N'-(1,1-dioxidotetrahydro-3-thienyl)thiourea

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

Density: 1.5±0.1 g/cm3
Boiling Point: 574.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.59
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 49.40
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 49.33
Polar Surface Area: 157 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

Click to predict properties on the Chemicalize site


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