ChemSpider 2D Image | 6-{[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine | C14H16N6S2

6-{[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC14H16N6S2
  • Average mass332.447 Da
  • Monoisotopic mass332.087799 Da
  • ChemSpider ID22366775

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[[(2-benzothiazolylmethyl)thio]methyl]-N2,N2-dimethyl- [ACD/Index Name]
6-{[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]methyl}-N,N-dimethyl-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-{[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-{[(1,3-Benzothiazol-2-ylméthyl)sulfanyl]méthyl}-N,N-diméthyl-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC 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: 566.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.4±32.9 °C
Index of Refraction: 1.752
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.01
ACD/KOC (pH 5.5): 548.73
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 54.03
ACD/KOC (pH 7.4): 604.88
Polar Surface Area: 134 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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