ChemSpider 2D Image | Methyl (2Z)-3-amino-3-(methylsulfanyl)-2-propenimidothioate | C5H10N2S2

Methyl (2Z)-3-amino-3-(methylsulfanyl)-2-propenimidothioate

  • Molecular FormulaC5H10N2S2
  • Average mass162.276 Da
  • Monoisotopic mass162.028534 Da
  • ChemSpider ID35800170
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-Amino-3-(méthylsulfanyl)-2-propénimidothioate de méthyle [French] [ACD/IUPAC Name]
2-Propenimidothioic acid, 3-amino-3-(methylthio)-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-3-amino-3-(methylsulfanyl)-2-propenimidothioate [ACD/IUPAC Name]
Methyl-(2Z)-3-amino-3-(methylsulfanyl)-2-propenimidothioat [German] [ACD/IUPAC Name]
2-PROPENIMIDOTHIOIC ACID, 3-AMINO-3-(METHYLTHIO)-, METHYL ESTER, (E,Z)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 238.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 98.3±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 44.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 39.53
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 117.25
Polar Surface Area: 100 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 133.6±7.0 cm3

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