ChemSpider 2D Image | (2S,3R)-2-Isobutyl-3-isopropylthiirane | C9H18S

(2S,3R)-2-Isobutyl-3-isopropylthiirane

  • Molecular FormulaC9H18S
  • Average mass158.304 Da
  • Monoisotopic mass158.112915 Da
  • ChemSpider ID24210869

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Isobutyl-3-isopropylthiiran [German] [ACD/IUPAC Name]
(2S,3R)-2-Isobutyl-3-isopropylthiirane [ACD/IUPAC Name]
(2S,3R)-2-Isobutyl-3-isopropylthiirane [French] [ACD/IUPAC Name]
Thiirane, 2-(1-methylethyl)-3-(2-methylpropyl)-, (2R,3S)- [ACD/Index Name]
199617-39-5 [RN]
Thiirane, 2-(1-methylethyl)-3-(2-methylpropyl)-, cis- (9CI)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 186.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 55.0±15.1 °C
Index of Refraction: 1.478
Molar Refractivity: 49.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 369.68
ACD/KOC (pH 5.5): 2396.95
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.68
ACD/KOC (pH 7.4): 2396.95
Polar Surface Area: 25 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 28.2±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

Click to predict properties on the Chemicalize site


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