Chemical Properties of P-toluenesulfonamide, alpha-9h-purin-9-yl- (CAS 19270-99-6)

P-toluenesulfonamide, alpha-9h-purin-9-yl-

InChI
InChI=1S/C12H11N5O2S/c13-20(18,19)10-3-1-9(2-4-10)6-17-8-16-11-5-14-7-15-12(11)17/h1-5,7-8H,6H2,(H2,13,18,19)
InChI Key
JXDTYUUIZURCBJ-UHFFFAOYSA-N
Formula
C12H11N5O2S
SMILES
NS(=O)(=O)c1ccc(Cn2cnc3cncnc32)cc1
Molecular Weight1
289.31
CAS
19270-99-6
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Physical Properties

Property Value Unit Source
ω 0.7946 Relay (1.0) Calculated Property
ΔfG° 288.85 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 92.82 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 135.03 kJ/mol Relay (1.0) Calculated Property
IE 9.08 eV Relay (1.0) Calculated Property
log10WS -2.92 Relay (1.0) Calculated Property
logPoct/wat 0.522 Crippen Calculated Property
McVol 195.250 ml/mol McGowan Calculated Property
Pc 3690.73 kPa Relay (1.0-beta) Calculated Property
Tboil 703.05 K Relay (1.0) Calculated Property
Tc 1088.04 K Relay (1.0) Calculated Property
Tfus 518.89 K Relay (1.0) Calculated Property
Vc 0.725 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

p-Toluenesulfonamide, alpha-9H-adenin-9-yl-. p-Toluenesulfonamide, alpha-[6-(methylthio)-9H-purin-9-yl]-. P-toluenesulfonamide, alpha-(1,6-dihydro-6-oxo-9h-purin-9-yl)-. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-cyclotetramethylene-tertbutylsilyl. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

Find more compounds similar to P-toluenesulfonamide, alpha-9h-purin-9-yl-.

Sources

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