ChemSpider 2D Image | (2S,3R)-3-Sulfanyl-2-butanol | C4H10OS

(2S,3R)-3-Sulfanyl-2-butanol

  • Molecular FormulaC4H10OS
  • Average mass106.187 Da
  • Monoisotopic mass106.045235 Da
  • ChemSpider ID32698424
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3S)-rel-3-mercapto-2-butanol
(2S,3R)-3-Sulfanyl-2-butanol [ACD/IUPAC Name]
(2S,3R)-3-Sulfanyl-2-butanol [German] [ACD/IUPAC Name]
(2S,3R)-3-Sulfanyl-2-butanol [French] [ACD/IUPAC Name]
253-701-0 [EINECS]
2-Butanol, 3-mercapto-, (2S,3R)- [ACD/Index Name]
37887-04-0 [RN]
(R*,S*)-2-mercapto-3-butanol
3-MERCAPTO-2-BUTANOL, (2R,3S)-REL-
3-Sulfanylbutan-2-ol

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

82S57584XS [DBID]
UNII:82S57584XS [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 162.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.7 mmHg at 25°C
Enthalpy of Vaporization: 46.5±6.0 kJ/mol
Flash Point: 61.7±0.0 °C
Index of Refraction: 1.472
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 52.01
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.97
Polar Surface Area: 59 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 106.9±3.0 cm3

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