ChemSpider 2D Image | (2R)-2-Thiiranecarboxylic acid | C3H4O2S

(2R)-2-Thiiranecarboxylic acid

  • Molecular FormulaC3H4O2S
  • Average mass104.128 Da
  • Monoisotopic mass103.993202 Da
  • ChemSpider ID61496513

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Thiirancarbonsäure [German] [ACD/IUPAC Name]
(2R)-2-Thiiranecarboxylic acid [ACD/IUPAC Name]
2-Thiiranecarboxylic acid, (2R)- [ACD/Index Name]
Acide (2R)-2-thiiranecarboxylique [French] [ACD/IUPAC Name]
60355-31-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 287.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 127.6±25.4 °C
Index of Refraction: 1.643
Molar Refractivity: 23.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 77.9±3.0 dyne/cm
Molar Volume: 65.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement