ChemSpider 2D Image | 2-Thioxopropanoic acid | C3H4O2S

2-Thioxopropanoic acid

  • Molecular FormulaC3H4O2S
  • Average mass104.128 Da
  • Monoisotopic mass103.993202 Da
  • ChemSpider ID11635967

More details:

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

2-Thioxopropanoic acid [ACD/IUPAC Name]
2-Thioxopropansäure [German] [ACD/IUPAC Name]
Acide 2-thioxopropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-thioxo- [ACD/Index Name]
112505-19-8 [RN]
2-SULFANYLIDENEPROPANOIC ACID
MFCD00601081

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

Density: 1.3±0.1 g/cm3
Boiling Point: 201.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.3±6.0 kJ/mol
Flash Point: 75.9±22.6 °C
Index of Refraction: 1.552
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -3.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 77.7±3.0 cm3

Click to predict properties on the Chemicalize site


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