Chemical Properties of Ethanol, 2-[(6(1h)-oxo-9h-purin-2-yl)thio]- (keto form)

Ethanol, 2-[(6(1h)-oxo-9h-purin-2-yl)thio]- (keto form)

InChI
InChI=1S/C7H8N4O2S/c12-1-2-14-7-10-5-4(6(13)11-7)8-3-9-5/h3,12H,1-2H2,(H2,8,9,10,11,13)
InChI Key
GKFGYZUHWYZCSN-UHFFFAOYSA-N
Formula
C7H8N4O2S
SMILES
O=c1[nH]c(SCCO)nc2[nH]cnc12
Molecular Weight1
212.23
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Physical Properties

Property Value Unit Source
ω 0.7918 Relay (1.0) Calculated Property
ΔfG° 88.18 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -117.69 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 132.84 kJ/mol Relay (1.0) Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
log10WS -2.24 Relay (1.0) Calculated Property
logPoct/wat -1.233 Crippen Calculated Property
McVol 138.580 ml/mol McGowan Calculated Property
Pc 5207.07 kPa Relay (1.0-beta) Calculated Property
Tboil 670.18 K Relay (1.0) Calculated Property
Tc 1016.23 K Relay (1.0) Calculated Property
Tfus 537.65 K Relay (1.0) Calculated Property
Vc 0.497 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Moexipril desethyl - H2O Me (Moexprilate - H2O Me). xanthosine, TMS. SCHEMBL9488362. 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R-trans)-. cannabidiolic acid, phenyl-boronate. Inosine, tetramethyl ether. [2H5]trans-Zeatin riboside, permethylated. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 5-methyluridine, 2',3',5'-tris(O-TMSi). Metopon. 5-Methyluridine, tris(trimethylsilyl) deriv.. cis-Zeatin riboside, permethylated. Carteolol hydroxy, acetylated. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Thymidine, 3',5'-bis-O-TMS.

Find more compounds similar to Ethanol, 2-[(6(1h)-oxo-9h-purin-2-yl)thio]- (keto form).

Sources

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