ChemSpider 2D Image | (5-Mesityl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid | C14H18N2O2S2

(5-Mesityl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid

  • Molecular FormulaC14H18N2O2S2
  • Average mass310.435 Da
  • Monoisotopic mass310.080963 Da
  • ChemSpider ID24742049

More details:

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

(5-Mesityl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid [ACD/IUPAC Name]
(5-Mesityl-6-thioxo-1,3,5-thiadiazinan-3-yl)essigsäure [German] [ACD/IUPAC Name]
2H-1,3,5-Thiadiazine-3(4H)-acetic acid, dihydro-6-thioxo-5-(2,4,6-trimethylphenyl)- [ACD/Index Name]
Acide (5-mésityl-6-thioxo-1,3,5-thiadiazinan-3-yl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 486.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.2±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.28
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 227.9±5.0 cm3

Click to predict properties on the Chemicalize site


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