ChemSpider 2D Image | [(2-Methyl-4-sulfanyl-1,3-thiazol-5-yl)sulfanyl]acetic acid | C6H7NO2S3

[(2-Methyl-4-sulfanyl-1,3-thiazol-5-yl)sulfanyl]acetic acid

  • Molecular FormulaC6H7NO2S3
  • Average mass221.320 Da
  • Monoisotopic mass220.963882 Da
  • ChemSpider ID115047371

More details:

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

[(2-Methyl-4-sulfanyl-1,3-thiazol-5-yl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-Methyl-4-sulfanyl-1,3-thiazol-5-yl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(4-mercapto-2-methyl-5-thiazolyl)thio]- [ACD/Index Name]
Acide [(2-méthyl-4-sulfanyl-1,3-thiazol-5-yl)sulfanyl]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: 395.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 192.8±26.5 °C
Index of Refraction: 1.671
Molar Refractivity: 54.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 144.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement