ChemSpider 2D Image | 2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-amine | C16H14N2S3

2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-amine

  • Molecular FormulaC16H14N2S3
  • Average mass330.491 Da
  • Monoisotopic mass330.031921 Da
  • ChemSpider ID52391672

More details:

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

2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-amin [German] [ACD/IUPAC Name]
2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-amine [ACD/IUPAC Name]
2-[(2,3-Dihydro-1-benzothiophén-2-ylméthyl)sulfanyl]-1,3-benzothiazol-6-amine [French] [ACD/IUPAC Name]
6-Benzothiazolamine, 2-[[(2,3-dihydrobenzo[b]thien-2-yl)methyl]thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.7 °C
Index of Refraction: 1.785
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 917.03
ACD/KOC (pH 5.5): 4590.13
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 918.86
ACD/KOC (pH 7.4): 4599.29
Polar Surface Area: 118 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 228.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement