ChemSpider 2D Image | (3R)-1,2-Dithiolane-3-carboxylic acid | C4H6O2S2

(3R)-1,2-Dithiolane-3-carboxylic acid

  • Molecular FormulaC4H6O2S2
  • Average mass150.219 Da
  • Monoisotopic mass149.980927 Da
  • ChemSpider ID24191386

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1,2-Dithiolan-3-carbonsäure [German] [ACD/IUPAC Name]
(3R)-1,2-Dithiolane-3-carboxylic acid [ACD/IUPAC Name]
1,2-Dithiolane-3-carboxylic acid, (3R)- [ACD/Index Name]
20752-39-0 [RN]
Acide (3R)-1,2-dithiolane-3-carboxylique [French] [ACD/IUPAC Name]
1,2-DITHIOLANE-3-CARBOXYLIC ACID (R)-(-)-
1,2-Dithiolane-3-carboxylic acid, (R)-(-)- (8CI)
1,2-Dithiolane-3-carboxylicacid,(R)-(-)-(8CI)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 323.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.2±6.0 kJ/mol
Flash Point: 149.7±24.8 °C
Index of Refraction: 1.646
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 99.9±3.0 cm3

Click to predict properties on the Chemicalize site


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