Found 1 result

Search term: 110221-26-6 (Found by approved synonym)
ChemSpider 2D Image | (2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one | C9H12N2OS2

(2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one

  • Molecular FormulaC9H12N2OS2
  • Average mass228.334 Da
  • Monoisotopic mass228.039108 Da
  • ChemSpider ID21168543

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-on [German] [ACD/IUPAC Name]
(2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one [ACD/IUPAC Name]
(2S,6R)-6-Amino-2-(2-thiényl)-1,4-thiazépan-5-one [French] [ACD/IUPAC Name]
(2S,6R)-6-Amino-2-(thiophen-2-yl)-1,4-thiazepan-5-on
(2S,6R)-6-Amino-2-(thiophen-2-yl)-1,4-thiazepan-5-one
1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-(2-thienyl)-, (2S,6R)- [ACD/Index Name]
110221-26-6 [RN]
(2S,6R)-6-amino-2-(2-thienyl)-1,4-thiazaperhydroepin-5-one
(2S,6R)-6-amino-2-(2-thienyl)-1,4-thiazepan
(2S,6R)-6-amino-2-thiophen-2-yl-1,4-thiazepan-5-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 492.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 251.8±28.7 °C
    Index of Refraction: 1.605
    Molar Refractivity: 61.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.00
    ACD/LogD (pH 5.5): -0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.01
    ACD/LogD (pH 7.4): 0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 28.78
    Polar Surface Area: 109 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 177.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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