ChemSpider 2D Image | O-Methyl 5-amino-5-thioxopentanethioate | C6H11NOS2

O-Methyl 5-amino-5-thioxopentanethioate

  • Molecular FormulaC6H11NOS2
  • Average mass177.288 Da
  • Monoisotopic mass177.028198 Da
  • ChemSpider ID28553916

More details:

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

5-Amino-5-thioxopentanethioate de O-méthyle [French] [ACD/IUPAC Name]
O-Methyl 5-amino-5-thioxopentanethioate [ACD/IUPAC Name]
O-Methyl-5-amino-5-thioxopentanthioat [German] [ACD/IUPAC Name]
Pentanethioic acid, 5-amino-5-thioxo-, O-methyl ester [ACD/Index Name]
175202-95-6 [RN]
ACETICACID, 2-[(3-AMINO-3-THIOXOPROPYL)THIO]-, METHYL ESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 277.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.4±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.96
ACD/KOC (pH 5.5): 109.54
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.96
ACD/KOC (pH 7.4): 109.55
Polar Surface Area: 99 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 147.6±3.0 cm3

Click to predict properties on the Chemicalize site


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