ChemSpider 2D Image | (Methylamino)(thioxo)acetic acid | C3H5NO2S

(Methylamino)(thioxo)acetic acid

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID26285255

More details:






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

(Methylamino)(thioxo)acetic acid [ACD/IUPAC Name]
(Methylamino)(thioxo)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-(methylamino)-2-thioxo- [ACD/Index Name]
Acide (méthylamino)(thioxo)acétique [French] [ACD/IUPAC Name]
64794-71-4 [RN]
MFCD06208300

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

Density: 1.4±0.1 g/cm3
Boiling Point: 224.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.8±6.0 kJ/mol
Flash Point: 89.8±22.6 °C
Index of Refraction: 1.571
Molar Refractivity: 28.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 86.5±3.0 cm3

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