ChemSpider 2D Image | [2-(Methyldisulfanyl)-1,3-thiazol-4-yl]acetic acid | C6H7NO2S3

[2-(Methyldisulfanyl)-1,3-thiazol-4-yl]acetic acid

  • Molecular FormulaC6H7NO2S3
  • Average mass221.320 Da
  • Monoisotopic mass220.963882 Da
  • ChemSpider ID49844442

More details:

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

[2-(Methyldisulfanyl)-1,3-thiazol-4-yl]acetic acid [ACD/IUPAC Name]
[2-(Methyldisulfanyl)-1,3-thiazol-4-yl]essigsäure [German] [ACD/IUPAC Name]
4-Thiazoleacetic acid, 2-(methyldithio)- [ACD/Index Name]
Acide [2-(méthyldisulfanyl)-1,3-thiazol-4-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 424.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.7±26.5 °C
Index of Refraction: 1.673
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 24.09
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 144.7±5.0 cm3

Click to predict properties on the Chemicalize site


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