ChemSpider 2D Image | (6S)-N~6~-[(2,2,3,3,3-~2~H_5_)Propyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | C10H12D5N3S

(6S)-N6-[(2,2,3,3,3-2H5)Propyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

  • Molecular FormulaC10H12D5N3S
  • Average mass216.358 Da
  • Monoisotopic mass216.145706 Da
  • ChemSpider ID48063150

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6S)-N6-[(2,2,3,3,3-2H5)Propyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2,6-diamin [German] [ACD/IUPAC Name]
(6S)-N6-[(2,2,3,3,3-2H5)Propyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine [ACD/IUPAC Name]
(6S)-N6-[(2,2,3,3,3-2H5)Propyl]-4,5,6,7-tétrahydro-1,3-benzothiazole-2,6-diamine [French] [ACD/IUPAC Name]
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-(propyl-2,2,3,3,3-d5)-, (6S)- [ACD/Index Name]
(6S)-6-N-(2,2,3,3,3-pentadeuteriopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
1217601-58-5 [RN]
1217975-28-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 378.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 182.4±27.9 °C
Index of Refraction: 1.583
Molar Refractivity: 60.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 79 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 180.5±5.0 cm3

Click to predict properties on the Chemicalize site


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