ChemSpider 2D Image | 2-Methyl-1,1,3-propanetrithiol | C4H10S3

2-Methyl-1,1,3-propanetrithiol

  • Molecular FormulaC4H10S3
  • Average mass154.317 Da
  • Monoisotopic mass153.994461 Da
  • ChemSpider ID31045078

More details:






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

1,1,3-Propanetrithiol, 2-methyl- [ACD/Index Name]
2-Methyl-1,1,3-propanetrithiol [ACD/IUPAC Name]
2-Méthyl-1,1,3-propanetrithiol [French] [ACD/IUPAC Name]
2-Methyl-1,1,3-propantrithiol [German] [ACD/IUPAC Name]
Methyl propyl trisulfide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 235.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 97.7±20.4 °C
Index of Refraction: 1.556
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.26
ACD/KOC (pH 5.5): 370.71
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.63
ACD/KOC (pH 7.4): 348.60
Polar Surface Area: 116 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 137.5±3.0 cm3

Click to predict properties on the Chemicalize site






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