ChemSpider 2D Image | 3-{[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]sulfanyl}-1-butanol | C10H17NOS2

3-{[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]sulfanyl}-1-butanol

  • Molecular FormulaC10H17NOS2
  • Average mass231.378 Da
  • Monoisotopic mass231.075150 Da
  • ChemSpider ID36856833

More details:

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

1-Butanol, 3-[[(4,5-dimethyl-2-thiazolyl)methyl]thio]- [ACD/Index Name]
3-{[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]sulfanyl}-1-butanol [German] [ACD/IUPAC Name]
3-{[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]sulfanyl}-1-butanol [ACD/IUPAC Name]
3-{[(4,5-Diméthyl-1,3-thiazol-2-yl)méthyl]sulfanyl}-1-butanol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 343.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 161.5±26.5 °C
Index of Refraction: 1.571
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.81
ACD/KOC (pH 5.5): 585.54
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.31
ACD/KOC (pH 7.4): 591.24
Polar Surface Area: 87 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 198.9±3.0 cm3

Click to predict properties on the Chemicalize site


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