Found 67 results

Search term: MF = 'C_{7}H_{9}N_{5}O_{4}S'
ChemSpider 2D Image | N~1~-(5-Nitro-1,3-thiazol-2-yl)-L-aspartamide | C7H9N5O4S

N1-(5-Nitro-1,3-thiazol-2-yl)-L-aspartamide

  • Molecular FormulaC7H9N5O4S
  • Average mass259.242 Da
  • Monoisotopic mass259.037537 Da
  • ChemSpider ID32158307

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Aspartamide, N1-(5-nitro-2-thiazolyl)- [ACD/Index Name]
N1-(5-Nitro-1,3-thiazol-2-yl)-L-aspartamid [German] [ACD/IUPAC Name]
N1-(5-Nitro-1,3-thiazol-2-yl)-L-aspartamide [ACD/IUPAC Name]
N1-(5-Nitro-1,3-thiazol-2-yl)-L-aspartamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.77
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.86
Polar Surface Area: 185 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 95.2±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

Click to predict properties on the Chemicalize site


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