Chemical Properties of 9H-purine, 6-[4-methyl-3-thiosemicarbazido]- (CAS 78958-61-9)

9H-purine, 6-[4-methyl-3-thiosemicarbazido]-

InChI
InChI=1S/C7H9N7S/c1-8-7(15)14-13-6-4-5(10-2-9-4)11-3-12-6/h2-3H,1H3,(H2,8,14,15)(H2,9,10,11,12,13)
InChI Key
LTOKJKRIIICZQR-UHFFFAOYSA-N
Formula
C7H9N7S
SMILES
CNC(=S)NNc1ncnc2[nH]cnc12
Molecular Weight1
223.26
CAS
78958-61-9
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Physical Properties

Property Value Unit Source
IE 7.95 eV Relay (1.0) Calculated Property
log10WS -3.71 Relay (1.0) Calculated Property
logPoct/wat -0.708 Crippen Calculated Property
McVol 152.480 ml/mol McGowan Calculated Property
Tfus 571.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Semicarbazide, 1-(9h-purin-6-yl)-3-thio. 5'-S-Methyl-5'-thioadenosine, bis(trimethylsilyl) deriv.. Benzquinamide. O-Acetylcrotavernine. Metopon. 5-methyluridine, 2',3',5'-tris(O-TMSi). 5-Methyluridine, tris(trimethylsilyl) deriv.. Uridine, 2'-O-TBDMS, 3',5'-bis-O-TFA. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Cytidine, metho-oxime-TMS derivative. Quinine, trimethylsilyl ether. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to 9H-purine, 6-[4-methyl-3-thiosemicarbazido]-.

Sources

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