Found 1 result

Search term: 161055-47-6 (Found by approved synonym)
ChemSpider 2D Image | 6'-Amino-D-luciferin | C11H9N3O2S2

6'-Amino-D-luciferin

  • Molecular FormulaC11H9N3O2S2
  • Average mass279.338 Da
  • Monoisotopic mass279.013611 Da
  • ChemSpider ID32696491

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
(S)-2-(6-Amino-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid
(S)-2-(6-Amino-2-benzothiazolyl)-4,5-dihydro-4-thiazolecarboxylic acid
161055-47-6 [RN]
4-Thiazolecarboxylic acid, 2-(6-amino-2-benzothiazolyl)-4,5-dihydro-, (4S)- [ACD/Index Name]
6'-Amino-D-luciferin
Acide (4S)-2-(6-amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
118969-27-0 [RN]
1668-00-4 [RN]
More...

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

12930905 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 594.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±3.0 kJ/mol
    Flash Point: 313.6±32.9 °C
    Index of Refraction: 1.888
    Molar Refractivity: 70.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): -1.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 142 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 88.1±7.0 dyne/cm
    Molar Volume: 154.0±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement