ChemSpider 2D Image | (4,5-Dimethyl-1,3-thiazol-2-yl)methanethiol | C6H9NS2

(4,5-Dimethyl-1,3-thiazol-2-yl)methanethiol

  • Molecular FormulaC6H9NS2
  • Average mass159.272 Da
  • Monoisotopic mass159.017639 Da
  • ChemSpider ID61551346

More details:






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

(4,5-Dimethyl-1,3-thiazol-2-yl)methanethiol [ACD/IUPAC Name]
(4,5-Diméthyl-1,3-thiazol-2-yl)méthanethiol [French] [ACD/IUPAC Name]
(4,5-Dimethyl-1,3-thiazol-2-yl)methanthiol [German] [ACD/IUPAC Name]
2-Thiazolemethanethiol, 4,5-dimethyl- [ACD/Index Name]
(dimethyl-1,3-thiazol-2-yl)methanethiol
1849225-48-4 [RN]
MFCD29990958

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

Density: 1.2±0.1 g/cm3
Boiling Point: 240.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 99.1±24.0 °C
Index of Refraction: 1.584
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.50
ACD/KOC (pH 5.5): 419.50
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 23.04
ACD/KOC (pH 7.4): 297.33
Polar Surface Area: 80 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 135.0±3.0 cm3

Click to predict properties on the Chemicalize site






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