Chemical Properties of Urea, 1-[2-[9h-(purin-6-yl)thio]ethyl]- (CAS 90953-43-8)

Urea, 1-[2-[9h-(purin-6-yl)thio]ethyl]-

InChI
InChI=1S/C8H10N6OS/c9-8(15)10-1-2-16-7-5-6(12-3-11-5)13-4-14-7/h3-4H,1-2H2,(H3,9,10,15)(H,11,12,13,14)
InChI Key
VEILAQGIOFNDRZ-UHFFFAOYSA-N
Formula
C8H10N6OS
SMILES
NC(=O)NCCSc1ncnc2[nH]cnc12
Molecular Weight1
238.27
CAS
90953-43-8
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Physical Properties

Property Value Unit Source
ω 0.7814 Relay (1.0) Calculated Property
ΔfG° 337.98 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 58.70 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 122.74 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -3.00 Relay (1.0) Calculated Property
logPoct/wat -0.369 Crippen Calculated Property
McVol 162.460 ml/mol McGowan Calculated Property
Pc 4656.36 kPa Relay (1.0-beta) Calculated Property
Tboil 650.68 K Relay (1.0) Calculated Property
Tc 1037.07 K Relay (1.0) Calculated Property
Tfus 490.51 K Relay (1.0) Calculated Property
Vc 0.584 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Acetamide, n-[2-(9h-purin-6-yl-thio)ethyl]-. Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]-. Purine,6-(2-aminoethyl thio)-. Levophacetoperane. 5-methyluridine, 2',3',5'-tris(O-TMSi). 5-Methyluridine, tris(trimethylsilyl) deriv.. Beclomethasone, tetra-TMS. Biotin, N,N'-tert-butyldimethylsilyl-, tert-butyldimethylsilyl ester. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Hydrastine. Quinine, trimethylsilyl ether. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Urea, 1-[2-[9h-(purin-6-yl)thio]ethyl]-.

Sources

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