Chemical Properties of 9H-purine-6(1h)-thione, 2,9-diethyl- (CAS 6223-60-5)

9H-purine-6(1h)-thione, 2,9-diethyl-

InChI
InChI=1S/C9H12N4S/c1-3-6-11-8-7(9(14)12-6)10-5-13(8)4-2/h5H,3-4H2,1-2H3,(H,11,12,14)
InChI Key
AHPPXBSAAWSUBA-UHFFFAOYSA-N
Formula
C9H12N4S
SMILES
CCc1nc2c(ncn2CC)c(=S)[nH]1
Molecular Weight1
208.28
CAS
6223-60-5
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Physical Properties

Property Value Unit Source
ω 0.5895 Relay (1.0) Calculated Property
ΔfG° 302.37 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 157.91 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.65 kJ/mol Relay (1.0) Calculated Property
IE 7.91 eV Relay (1.0) Calculated Property
log10WS -3.49 Relay (1.0) Calculated Property
logPoct/wat 1.589 Crippen Calculated Property
McVol 155.020 ml/mol McGowan Calculated Property
Pc 3329.02 kPa Relay (1.0-beta) Calculated Property
Tboil 621.82 K Relay (1.0) Calculated Property
Tc 908.69 K Relay (1.0) Calculated Property
Tfus 516.42 K Relay (1.0) Calculated Property
Vc 0.581 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Adenosine-tetrakis(trimethylsilyl)-. Benzquinamide M (N-des-Et), acetylated. Inosine, 2',3',5'-tribenzoate. N6-TBDMS-Adenosine, 2',3',5'-tris-O-TBDMS. Thymine riboside, TMS. N6-TMS-Adenosine, 2',3',5'-tris-O-TBDMS. 2'-Deoxyadenosine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Etodolac, methylated. Heptafluorobutyryl-codeine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to 9H-purine-6(1h)-thione, 2,9-diethyl-.

Sources

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