Chemical Properties of Ethanol, 2-[(6-amino-9h-purin-2-yl)thio]-

Ethanol, 2-[(6-amino-9h-purin-2-yl)thio]-

InChI
InChI=1S/C7H9N5OS/c8-5-4-6(10-3-9-4)12-7(11-5)14-2-1-13/h3,13H,1-2H2,(H3,8,9,10,11,12)
InChI Key
XTHAOKUQBJUWHU-UHFFFAOYSA-N
Formula
C7H9N5OS
SMILES
Nc1nc(SCCO)nc2[nH]cnc12
Molecular Weight1
211.24
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Physical Properties

Property Value Unit Source
ω 0.8172 Relay (1.0) Calculated Property
ΔfG° 259.85 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 56.73 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 126.38 kJ/mol Relay (1.0) Calculated Property
IE 8.22 eV Relay (1.0) Calculated Property
log10WS -2.71 Relay (1.0) Calculated Property
logPoct/wat -0.462 Crippen Calculated Property
McVol 142.690 ml/mol McGowan Calculated Property
Pc 4894.25 kPa Relay (1.0-beta) Calculated Property
Tboil 668.55 K Relay (1.0) Calculated Property
Tc 1035.24 K Relay (1.0) Calculated Property
Tfus 506.95 K Relay (1.0) Calculated Property
Vc 0.509 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenine, 2-(methylthio)-. Ethanol, 2-[(6(1h)-oxo-9h-purin-2-yl)thio]- (keto form). 2'-Deoxyadenosine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Adenosine, 2',3'-O-(1-methylethylidene)-. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). Adenosine 3',5'-cyclic monophosphate. N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS. Sodium penicillin g. 9H-purine, 2,6-difluoro-9-beta-d-xylofuranosyl-, 2',3',5'-triacetate. Adenine, 9-(3,5-o-isopropylidene-beta-d-xylofuranosyl)-. 2'-Deoxyadenosine, 3',5'-bis(O-TMSi). 2'-Deoxyadenosine, bis(trimethylsilyl) deriv.. N6-TMS-Adenosine, 2',3',5'-tris-O-TBDMS.

Find more compounds similar to Ethanol, 2-[(6-amino-9h-purin-2-yl)thio]-.

Sources

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