Chemical Properties of Adenine, n-[p-(methylthio)phenyl]-

Adenine, n-[p-(methylthio)phenyl]-

InChI
InChI=1S/C12H11N5S/c1-18-9-4-2-8(3-5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChI Key
RLIKBBNNCGQLQX-UHFFFAOYSA-N
Formula
C12H11N5S
SMILES
CSc1ccc(Nc2ncnc3[nH]cnc23)cc1
Molecular Weight1
257.31
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Physical Properties

Property Value Unit Source
ω 0.6243 Relay (1.0) Calculated Property
ΔfG° 466.95 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 348.33 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 121.20 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -4.70 Relay (1.0) Calculated Property
logPoct/wat 2.337 Crippen Calculated Property
McVol 183.510 ml/mol McGowan Calculated Property
Pc 6164.73 kPa Relay (1.0-beta) Calculated Property
Tboil 703.20 K Relay (1.0) Calculated Property
Tc 1075.17 K Relay (1.0) Calculated Property
Tfus 528.73 K Relay (1.0) Calculated Property
Vc 0.658 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Purine, 6-[p-(beta-chloroethylthio)anilino]-. Adenine, n-[o-(methylthio)phenyl]-. Adenine, n-(p-nitrophenyl)-. Purine, 6-(o-methoxyanilino)-. Quinapril Me. 5-methyluridine, 2',3',5'-tris(O-TMSi). 7-acetyl-9-curassavoylheliotridine. Uridine, 2',5'-bis-O-TBDMS. 5-Methyluridine, tris(trimethylsilyl) deriv.. Uridine, 2'-O-TBDMS. Cytidine, methyl-TMS derivative. Cytidine, dimethyl-TMS derivative. Uridine, 5'-O-TBDMS. 4',5'-Diiodofluorescein. 2'-Deoxyuridine, 5'-O-TBDMS.

Find more compounds similar to Adenine, n-[p-(methylthio)phenyl]-.

Sources

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