ChemSpider 2D Image | Methyl 1,2,3-benzothiadiazole-7-carbodithioate | C8H6N2S3

Methyl 1,2,3-benzothiadiazole-7-carbodithioate

  • Molecular FormulaC8H6N2S3
  • Average mass226.342 Da
  • Monoisotopic mass225.969315 Da
  • ChemSpider ID14327021

More details:

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

1,2,3-Benzothiadiazole-7-carbodithioate de méthyle [French] [ACD/IUPAC Name]
1,2,3-Benzothiadiazole-7-carbodithioic acid, methyl ester [ACD/Index Name]
135158-54-2 [RN]
Methyl 1,2,3-benzothiadiazole-7-carbodithioate [ACD/IUPAC Name]
Methyl-1,2,3-benzothiadiazol-7-carbodithioat [German] [ACD/IUPAC Name]
1,2,3-Benzothiadiazole-7-carbothioicacid, S-methyl ester
acibenzolar-S-methyl [BSI] [ISO]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 367.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 176.2±30.7 °C
Index of Refraction: 1.777
Molar Refractivity: 63.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.76
ACD/KOC (pH 5.5): 586.84
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.76
ACD/KOC (pH 7.4): 586.84
Polar Surface Area: 111 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 82.0±3.0 dyne/cm
Molar Volume: 152.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement