ChemSpider 2D Image | 1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanethiol | C7H11NS2

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

  • Molecular FormulaC7H11NS2
  • Average mass173.299 Da
  • Monoisotopic mass173.033295 Da
  • ChemSpider ID43529215

More details:

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

1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanethiol [ACD/IUPAC Name]
1-(2,4-Diméthyl-1,3-thiazol-5-yl)éthanethiol [French] [ACD/IUPAC Name]
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanthiol [German] [ACD/IUPAC Name]
5-Thiazolemethanethiol, α,2,4-trimethyl- [ACD/Index Name]
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethane-1-thiol
1-(dimethyl-1,3-thiazol-5-yl)ethane-1-thiol
1340294-82-7 [RN]
MFCD18879551

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

Density: 1.1±0.1 g/cm3
Boiling Point: 260.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 111.3±23.2 °C
Index of Refraction: 1.568
Molar Refractivity: 49.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.43
ACD/KOC (pH 5.5): 506.73
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.33
ACD/KOC (pH 7.4): 505.58
Polar Surface Area: 80 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 152.3±3.0 cm3

Click to predict properties on the Chemicalize site


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