ChemSpider 2D Image | 3-[(3-Thienylmethyl)sulfanyl]-1-propanol | C8H12OS2

3-[(3-Thienylmethyl)sulfanyl]-1-propanol

  • Molecular FormulaC8H12OS2
  • Average mass188.310 Da
  • Monoisotopic mass188.032959 Da
  • ChemSpider ID67986599

More details:

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

1-Propanol, 3-[(3-thienylmethyl)thio]- [ACD/Index Name]
3-[(3-Thienylmethyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
3-[(3-Thienylmethyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
3-[(3-Thiénylméthyl)sulfanyl]-1-propanol [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: 294.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 132.1±21.8 °C
Index of Refraction: 1.594
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.14
ACD/KOC (pH 5.5): 417.25
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.14
ACD/KOC (pH 7.4): 417.25
Polar Surface Area: 74 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 156.2±3.0 cm3

Click to predict properties on the Chemicalize site


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