ChemSpider 2D Image | [5-(Methylsulfanyl)-1,3-thiazolidin-2-yl]methanethiol | C5H11NS3

[5-(Methylsulfanyl)-1,3-thiazolidin-2-yl]methanethiol

  • Molecular FormulaC5H11NS3
  • Average mass181.342 Da
  • Monoisotopic mass181.005356 Da
  • ChemSpider ID109704196

More details:

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

[5-(Methylsulfanyl)-1,3-thiazolidin-2-yl]methanethiol [ACD/IUPAC Name]
[5-(Méthylsulfanyl)-1,3-thiazolidin-2-yl]méthanethiol [French] [ACD/IUPAC Name]
[5-(Methylsulfanyl)-1,3-thiazolidin-2-yl]methanthiol [German] [ACD/IUPAC Name]
2-Thiazolidinemethanethiol, 5-(methylthio)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 336.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.4±26.5 °C
Index of Refraction: 1.619
Molar Refractivity: 50.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.57
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.03
ACD/KOC (pH 7.4): 118.82
Polar Surface Area: 101 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 144.3±5.0 cm3

Click to predict properties on the Chemicalize site


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