ChemSpider 2D Image | 3-butylthiolane 1-oxide | C8H16OS

3-butylthiolane 1-oxide

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID16744208

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-Butyltetrahydrothiophen-1-oxid [German] [ACD/IUPAC Name]
(1R,3S)-3-Butyltetrahydrothiophene 1-oxide [ACD/IUPAC Name]
1-Oxyde de (1R,3S)-3-butyltétrahydrothiophène [French] [ACD/IUPAC Name]
3-butylthiolane 1-oxide
Thiophene, 3-butyltetrahydro-, 1-oxide, (1R,3S)- [ACD/Index Name]
(1R,3S)-3-butyl-1λ4-thiolan-1-one
(1R,3S)-3-butyl-1λ⁴-thiolan-1-one
(R)-RETRO-THIORPHAN

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

RRT [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 296.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 133.2±18.2 °C
Index of Refraction: 1.510
Molar Refractivity: 45.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.41
ACD/KOC (pH 5.5): 198.78
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.41
ACD/KOC (pH 7.4): 198.78
Polar Surface Area: 36 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 153.4±5.0 cm3

Click to predict properties on the Chemicalize site


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