ChemSpider 2D Image | 3-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol | C7H11NOS2

3-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol

  • Molecular FormulaC7H11NOS2
  • Average mass189.298 Da
  • Monoisotopic mass189.028198 Da
  • ChemSpider ID67986598

More details:

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

1-Propanol, 3-[(4-thiazolylmethyl)thio]- [ACD/Index Name]
3-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
3-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
3-[(1,3-Thiazol-4-ylméthyl)sulfanyl]-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 319.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 146.7±22.3 °C
Index of Refraction: 1.599
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 91.31
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 91.32
Polar Surface Area: 87 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 149.4±3.0 cm3

Click to predict properties on the Chemicalize site


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