ChemSpider 2D Image | O-Ethyl hydroxycarbamothioate | C3H7NO2S

O-Ethyl hydroxycarbamothioate

  • Molecular FormulaC3H7NO2S
  • Average mass121.158 Da
  • Monoisotopic mass121.019745 Da
  • ChemSpider ID28677091

More details:






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

Carbamothioic acid, N-hydroxy-, O-ethyl ester [ACD/Index Name]
Hydroxycarbamothioate de O-éthyle [French] [ACD/IUPAC Name]
O-Ethyl hydroxycarbamothioate [ACD/IUPAC Name]
O-Ethyl-hydroxycarbamothioat [German] [ACD/IUPAC Name]
116312-12-0 [RN]
CARBAMOTHIOIC ACID, HYDROXY-, O-ETHYL ESTER
hydroxythiourethane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 175.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.9±6.0 kJ/mol
Flash Point: 59.9±22.6 °C
Index of Refraction: 1.542
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 36.23
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.22
Polar Surface Area: 74 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 95.7±3.0 cm3

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