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

2-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol

  • Molecular FormulaC7H11NOS2
  • Average mass189.298 Da
  • Monoisotopic mass189.028198 Da
  • ChemSpider ID41786613

More details:

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

1-Propanol, 2-[(4-thiazolylmethyl)thio]- [ACD/Index Name]
2-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
2-[(1,3-Thiazol-4-ylmethyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
2-[(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: 337.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 157.7±22.3 °C
Index of Refraction: 1.597
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.37
ACD/KOC (pH 5.5): 100.00
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 100.01
Polar Surface Area: 87 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 149.8±3.0 cm3

Click to predict properties on the Chemicalize site


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