Chemical Properties of Acetamide, n-[9h-purin-6(1h)-thione-9-yl]- (CAS 34993-27-6)

Acetamide, n-[9h-purin-6(1h)-thione-9-yl]-

InChI
InChI=1S/C7H7N5OS/c1-4(13)11-12-3-10-5-6(12)8-2-9-7(5)14/h2-3H,1H3,(H,11,13)(H,8,9,14)
InChI Key
GXGFBHCIBIAKCX-UHFFFAOYSA-N
Formula
C7H7N5OS
SMILES
CC(=O)Nn1cnc2c(=S)[nH]cnc21
Molecular Weight1
209.23
CAS
34993-27-6
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Physical Properties

Property Value Unit Source
ω 0.6426 Relay (1.0) Calculated Property
ΔfG° 226.42 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 121.02 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 134.34 kJ/mol Relay (1.0) Calculated Property
IE 7.95 eV Relay (1.0) Calculated Property
log10WS -2.94 Relay (1.0) Calculated Property
logPoct/wat 0.097 Crippen Calculated Property
McVol 138.390 ml/mol McGowan Calculated Property
Pc 5637.15 kPa Relay (1.0-beta) Calculated Property
Tboil 642.72 K Relay (1.0) Calculated Property
Tc 1010.91 K Relay (1.0) Calculated Property
Tfus 552.64 K Relay (1.0) Calculated Property
Vc 0.495 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Carteolol hydroxy, acetylated. nitrofurantoin. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Tinctorine. Moexipril Me. (E)-Eruciflorine. Acetylgynuramine. Moexipril desethyl 3Me (Moexprilate 3Me). risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Sophoramine. Eruciflorine. Tetrabenazine M (desmethyl-HO-), monoacetylated. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). 21-Hydroxyintergerrimine.

Find more compounds similar to Acetamide, n-[9h-purin-6(1h)-thione-9-yl]-.

Sources

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