ChemSpider 2D Image | (2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-{tris[(~2~H_3_)methyl]ammonio}propanoate | C9H6D9N3O2S

(2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-{tris[(2H3)methyl]ammonio}propanoate

  • Molecular FormulaC9H6D9N3O2S
  • Average mass238.355 Da
  • Monoisotopic mass238.144989 Da
  • ChemSpider ID58784336

  • 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

(2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-{tris[(2H3)methyl]ammonio}propanoat [German] [ACD/IUPAC Name]
(2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-{tris[(2H3)methyl]ammonio}propanoate [ACD/IUPAC Name]
(2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-{tris[(2H3)méthyl]ammonio}propanoate [French] [ACD/IUPAC Name]
1H-Imidazole-4-ethanaminium, α-carboxy-2,3-dihydro-N,N,N-tri(methyl-d3)-2-thioxo-, inner salt, (αS)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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