ChemSpider 2D Image | 2-Amino-3-(methylsulfanyl)-1-propanethiol | C4H11NS2

2-Amino-3-(methylsulfanyl)-1-propanethiol

  • Molecular FormulaC4H11NS2
  • Average mass137.267 Da
  • Monoisotopic mass137.033295 Da
  • ChemSpider ID25031177

More details:

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

1-Propanethiol, 2-amino-3-(methylthio)- [ACD/Index Name]
2-Amino-3-(methylsulfanyl)-1-propanethiol [ACD/IUPAC Name]
2-Amino-3-(méthylsulfanyl)-1-propanethiol [French] [ACD/IUPAC Name]
2-Amino-3-(methylsulfanyl)-1-propanthiol [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 249.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 104.7±25.9 °C
Index of Refraction: 1.544
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 42.52
Polar Surface Area: 90 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 126.6±3.0 cm3

Click to predict properties on the Chemicalize site


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