ChemSpider 2D Image | (2S,3R)-3-{[(2R,3R)-3-Sulfanyl-2-butanyl]sulfanyl}-2-butanol | C8H18OS2

(2S,3R)-3-{[(2R,3R)-3-Sulfanyl-2-butanyl]sulfanyl}-2-butanol

  • Molecular FormulaC8H18OS2
  • Average mass194.358 Da
  • Monoisotopic mass194.079910 Da
  • ChemSpider ID34994107
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S,3R)-3-{[(2R,3R)-3-Sulfanyl-2-butanyl]sulfanyl}-2-butanol [German] [ACD/IUPAC Name]
(2S,3R)-3-{[(2R,3R)-3-Sulfanyl-2-butanyl]sulfanyl}-2-butanol [ACD/IUPAC Name]
(2S,3R)-3-{[(2R,3R)-3-Sulfanyl-2-butanyl]sulfanyl}-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 3-[[(1R,2R)-2-mercapto-1-methylpropyl]thio]-, (2S,3R)- [ACD/Index Name]
3-((2-Mercapto-1-methylpropyl)thio)-2-butanol
54957-02-7 [RN]
UNII-T27YXW53EF

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 288.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 128.0±21.8 °C
Index of Refraction: 1.513
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.90
ACD/KOC (pH 5.5): 396.18
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.86
ACD/KOC (pH 7.4): 395.61
Polar Surface Area: 84 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 187.6±3.0 cm3

Click to predict properties on the Chemicalize site






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