ChemSpider 2D Image | 4-Methyl-2-(methylthio)benzothiazole | C9H9NS2

4-Methyl-2-(methylthio)benzothiazole

  • Molecular FormulaC9H9NS2
  • Average mass195.305 Da
  • Monoisotopic mass195.017639 Da
  • ChemSpider ID14830084

More details:

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

3622-20-6 [RN]
4-Methyl-2-(methylsulfanyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
4-Methyl-2-(methylsulfanyl)-1,3-benzothiazole [ACD/IUPAC Name]
4-Méthyl-2-(méthylsulfanyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
4-Methyl-2-(methylthio)benzothiazole
Benzothiazole, 4-methyl-2-(methylthio)- [ACD/Index Name]
4-methyl-2-(methylthio)benzo[d]thiazole
BENZO[D]THIAZOLE,4-METHYL-2-(METHYLTHIO)-
Benzothiazole, 4-methyl-2-(methylthio)- (7CI,8CI,9CI)
MFCD18826572

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

Density: 1.3±0.1 g/cm3
Boiling Point: 319.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 147.2±25.9 °C
Index of Refraction: 1.673
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 208.94
ACD/KOC (pH 5.5): 1593.13
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.98
ACD/KOC (pH 7.4): 1593.43
Polar Surface Area: 66 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 153.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement