Found 16 results

Search term: MF = 'C_{4}H_{6}O_{3}S_{2}'
ChemSpider 2D Image | (4R)-1,2-Dithiolane-4-carboxylic acid 1-oxide | C4H6O3S2

(4R)-1,2-Dithiolane-4-carboxylic acid 1-oxide

  • Molecular FormulaC4H6O3S2
  • Average mass166.219 Da
  • Monoisotopic mass165.975830 Da
  • ChemSpider ID35013070

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-1,2-Dithiolan-4-carbonsäure-1-oxid [German] [ACD/IUPAC Name]
(4R)-1,2-Dithiolane-4-carboxylic acid 1-oxide [ACD/IUPAC Name]
1,2-Dithiolane-4-carboxylic acid, 1-oxide, (4R)- [ACD/Index Name]
Acide (4R) 1-oxyde de -1,2-dithiolane-4-carboxylique [French] [ACD/IUPAC Name]
(4R)-1-oxo-1?4,2-dithiolane-4-carboxylic acid
(4R)-1-oxo-1λ4,2-dithiolane-4-carboxylic acid
42258-86-6 [RN]
42258-87-7 [RN]
Asparagusic acid anti-S-oxide
Asparagusic acid syn-S-oxide

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 447.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 224.2±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 37.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 101.9±5.0 dyne/cm
Molar Volume: 96.3±5.0 cm3

Click to predict properties on the Chemicalize site


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