ChemSpider 2D Image | 3-Sulfanyl(~2~H_4_)propanoic acid | C3H2D4O2S

3-Sulfanyl(2H4)propanoic acid

  • Molecular FormulaC3H2D4O2S
  • Average mass110.168 Da
  • Monoisotopic mass110.033958 Da
  • ChemSpider ID60498112

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Sulfanyl(2H4)propanoic acid [ACD/IUPAC Name]
3-Sulfanyl(2H4)propansäure [German] [ACD/IUPAC Name]
Acide 3-sulfanyl(2H4)propanoïque [French] [ACD/IUPAC Name]
Propanoic-2,2,3,3-d4 acid, 3-mercapto- [ACD/Index Name]
1141488-67-6 [RN]
3-Mercaptopropionic-2,2,3,3-d4 Acid
3-thiopropionic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 217.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.0±6.0 kJ/mol
Flash Point: 93.9±0.0 °C
Index of Refraction: 1.498
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.48
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 86.7±3.0 cm3

Click to predict properties on the Chemicalize site


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