ChemSpider 2D Image | 1-(2-Methyl-1,3-thiazol-4-yl)ethanethiol | C6H9NS2

1-(2-Methyl-1,3-thiazol-4-yl)ethanethiol

  • Molecular FormulaC6H9NS2
  • Average mass159.272 Da
  • Monoisotopic mass159.017639 Da
  • ChemSpider ID42101139

More details:

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

1-(2-Methyl-1,3-thiazol-4-yl)ethanethiol [ACD/IUPAC Name]
1-(2-Méthyl-1,3-thiazol-4-yl)éthanethiol [French] [ACD/IUPAC Name]
1-(2-Methyl-1,3-thiazol-4-yl)ethanthiol [German] [ACD/IUPAC Name]
4-Thiazolemethanethiol, α,2-dimethyl- [ACD/Index Name]
1-(2-methyl-1,3-thiazol-4-yl)ethane-1-thiol
1593794-99-0 [RN]
MFCD30222225

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

Density: 1.2±0.1 g/cm3
Boiling Point: 238.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 97.8±20.4 °C
Index of Refraction: 1.576
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.57
ACD/KOC (pH 5.5): 292.32
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 17.56
ACD/KOC (pH 7.4): 262.33
Polar Surface Area: 80 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 136.0±3.0 cm3

Click to predict properties on the Chemicalize site


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