ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-yl)ethanethiol | C9H9NS2

2-(1,3-Benzothiazol-2-yl)ethanethiol

  • Molecular FormulaC9H9NS2
  • Average mass195.305 Da
  • Monoisotopic mass195.017639 Da
  • ChemSpider ID14671595

More details:

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

2-(1,3-Benzothiazol-2-yl)ethanethiol [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)éthanethiol [French] [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)ethanthiol [German] [ACD/IUPAC Name]
2-Benzothiazoleethanethiol [ACD/Index Name]
2-(1,3-Benzothiazol-2-yl)ethane-1-thiol
2-(benzo[d]thiazol-2-yl)ethanethiol
2-BENZO[D]THIAZOLEETHANETHIOL
2-Benzothiazoleethanethiol (7CI,8CI)
4542-26-1 [RN]
MFCD18813218

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

Density: 1.3±0.1 g/cm3
Boiling Point: 315.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 144.4±23.2 °C
Index of Refraction: 1.682
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.65
ACD/KOC (pH 5.5): 1175.56
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.43
ACD/KOC (pH 7.4): 1165.08
Polar Surface Area: 80 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 153.1±3.0 cm3

Click to predict properties on the Chemicalize site


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