ChemSpider 2D Image | (3aS,6aR)-1-(2-Hydroxyethyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide | C7H12N2O3S2

(3aS,6aR)-1-(2-Hydroxyethyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide

  • Molecular FormulaC7H12N2O3S2
  • Average mass236.312 Da
  • Monoisotopic mass236.028931 Da
  • ChemSpider ID62303238

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aR) 5,5-Dioxyde de 1-(2-hydroxyéthyl)tétrahydro-1H-thiéno[3,4-d]imidazole-2(3H)-thione [French] [ACD/IUPAC Name]
(3aS,6aR)-1-(2-Hydroxyethyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-thion-5,5-dioxid [German] [ACD/IUPAC Name]
(3aS,6aR)-1-(2-Hydroxyethyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide [ACD/IUPAC Name]
1H-Thieno[3,4-d]imidazole-1-ethanol, 3a,4,6,6a-tetrahydro-2-mercapto-, 5,5-dioxide, (3aS,6aR)- [ACD/Index Name]
1H-Thieno[3,4-d]imidazole-2(3H)-thione, tetrahydro-1-(2-hydroxyethyl)-, 5,5-dioxide, (3aS,6aR)- [ACD/Index Name]
2-[(3aS,6aR)-5,5-Dioxido-2-sulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-1-yl]ethanol [German] [ACD/IUPAC Name]
2-[(3aS,6aR)-5,5-Dioxido-2-sulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-1-yl]ethanol [ACD/IUPAC Name]
2-[(3aS,6aR)-5,5-Dioxydo-2-sulfanyl-3a,4,6,6a-tétrahydro-1H-thiéno[3,4-d]imidazol-1-yl]éthanol [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 498.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 255.4±31.5 °C
Index of Refraction: 1.782
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -3.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 130.0±7.0 cm3

Click to predict properties on the Chemicalize site


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