Chemical Properties of p-Toluenesulfonamide, alpha-(purin-6-ylamino)- (CAS 21266-66-0)

p-Toluenesulfonamide, alpha-(purin-6-ylamino)-

InChI
InChI=1S/C12H12N6O2S/c13-21(19,20)9-3-1-8(2-4-9)5-14-11-10-12(16-6-15-10)18-7-17-11/h1-4,6-7H,5H2,(H2,13,19,20)(H2,14,15,16,17,18)
InChI Key
MGZJAXYRCXYPPD-UHFFFAOYSA-N
Formula
C12H12N6O2S
SMILES
NS(=O)(=O)c1ccc(CNc2ncnc3[nH]cnc23)cc1
Molecular Weight1
304.33
CAS
21266-66-0
Other Names
  • «alpha»-[Purine-6-ylamino]-p-toluenesulfonamide
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Physical Properties

Property Value Unit Source
ω 0.8467 Relay (1.0) Calculated Property
ΔfG° 307.40 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 67.12 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 149.35 kJ/mol Relay (1.0) Calculated Property
IE 8.23 eV Relay (1.0) Calculated Property
log10WS -3.81 Relay (1.0) Calculated Property
logPoct/wat 0.130 Crippen Calculated Property
McVol 205.230 ml/mol McGowan Calculated Property
Pc 4386.00 kPa Relay (1.0-beta) Calculated Property
Tboil 719.07 K Relay (1.0) Calculated Property
Tc 1146.18 K Relay (1.0) Calculated Property
Tfus 568.35 K Relay (1.0) Calculated Property
Vc 0.741 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Benzyladenine. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. risperidone. Argentamin. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Baptifoline. Epibaptifoline. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to p-Toluenesulfonamide, alpha-(purin-6-ylamino)-.

Sources

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