ChemSpider 2D Image | 4-{5-[(Carboxymethyl)sulfonyl]-2-thienyl}-3-butynoic acid | C10H8O6S2

4-{5-[(Carboxymethyl)sulfonyl]-2-thienyl}-3-butynoic acid

  • Molecular FormulaC10H8O6S2
  • Average mass288.297 Da
  • Monoisotopic mass287.976227 Da
  • ChemSpider ID89128809

More details:

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

3-Butynoic acid, 4-[5-[(carboxymethyl)sulfonyl]-2-thienyl]- [ACD/Index Name]
4-{5-[(Carboxymethyl)sulfonyl]-2-thienyl}-3-butinsäure [German] [ACD/IUPAC Name]
4-{5-[(Carboxymethyl)sulfonyl]-2-thienyl}-3-butynoic acid [ACD/IUPAC Name]
Acide 4-{5-[(carboxyméthyl)sulfonyl]-2-thiényl}-3-butynoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 92.4±5.0 dyne/cm
Molar Volume: 170.4±5.0 cm3

Click to predict properties on the Chemicalize site


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