ChemSpider 2D Image | (2S)-2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid | C5H6N2O2S2

(2S)-2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid

  • Molecular FormulaC5H6N2O2S2
  • Average mass190.243 Da
  • Monoisotopic mass189.987061 Da
  • ChemSpider ID108527236

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-(1,3,4-Thiadiazol-2-ylsulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-(1,3,4-thiadiazol-2-ylthio)-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 370.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 177.6±28.4 °C
Index of Refraction: 1.625
Molar Refractivity: 44.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 124.5±5.0 cm3

Click to predict properties on the Chemicalize site


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