ChemSpider 2D Image | {[2-({[3-(Methylsulfanyl)-2-thienyl]carbonyl}amino)ethyl]sulfanyl}acetic acid | C10H13NO3S3

{[2-({[3-(Methylsulfanyl)-2-thienyl]carbonyl}amino)ethyl]sulfanyl}acetic acid

  • Molecular FormulaC10H13NO3S3
  • Average mass291.410 Da
  • Monoisotopic mass291.005768 Da
  • ChemSpider ID53713110

More details:

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

{[2-({[3-(Methylsulfanyl)-2-thienyl]carbonyl}amino)ethyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[2-({[3-(Methylsulfanyl)-2-thienyl]carbonyl}amino)ethyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[[3-(methylthio)-2-thienyl]carbonyl]amino]ethyl]thio]- [ACD/Index Name]
Acide {[2-({[3-(méthylsulfanyl)-2-thiényl]carbonyl}amino)éthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 542.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 281.8±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.78
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 205.7±5.0 cm3

Click to predict properties on the Chemicalize site


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