ChemSpider 2D Image | [3-(Methylsulfanyl)propyl]carbamodithioic acid | C5H11NS3

[3-(Methylsulfanyl)propyl]carbamodithioic acid

  • Molecular FormulaC5H11NS3
  • Average mass181.342 Da
  • Monoisotopic mass181.005356 Da
  • ChemSpider ID61262544

More details:

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

[3-(Methylsulfanyl)propyl]carbamodithioic acid [ACD/IUPAC Name]
[3-(Methylsulfanyl)propyl]carbamodithiosäure [German] [ACD/IUPAC Name]
Acide [3-(méthylsulfanyl)propyl]carbamodithioïque [French] [ACD/IUPAC Name]
Carbamodithioic acid, N-[3-(methylthio)propyl]- [ACD/Index Name]
1379377-39-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 264.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.6±27.9 °C
Index of Refraction: 1.596
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 152.9±3.0 cm3

Click to predict properties on the Chemicalize site


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