Chemical Properties of 6H-Purine-6-thione, 1,7-dihydro-8-methyl- (CAS 1126-23-4)

6H-Purine-6-thione, 1,7-dihydro-8-methyl-

InChI
InChI=1S/C6H6N4S/c1-3-9-4-5(10-3)7-2-8-6(4)11/h2H,1H3,(H2,7,8,9,10,11)
InChI Key
VIVHKHHYZLMJQH-UHFFFAOYSA-N
Formula
C6H6N4S
SMILES
Cc1nc2nc[nH]c(=S)c2[nH]1
Molecular Weight1
166.20
CAS
1126-23-4
Other Names
  • Purine-6(1H)-thione, 8-methyl-
  • 8-Methyl-6-thiopurine
  • 8-Methyl-6-thioxopurine
  • 9H-Purine-6-thiol, 8-methyl-
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Physical Properties

Property Value Unit Source
ω 0.4799 Relay (1.0) Calculated Property
ΔfG° 277.45 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 210.90 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 132.37 kJ/mol Relay (1.0) Calculated Property
IE 8.22 eV Relay (1.0) Calculated Property
log10WS -2.88 Relay (1.0) Calculated Property
logPoct/wat 0.360 Crippen Calculated Property
McVol 112.750 ml/mol McGowan Calculated Property
Pc 5994.31 kPa Relay (1.0-beta) Calculated Property
Tboil 623.85 K Relay (1.0) Calculated Property
Tc 943.27 K Relay (1.0) Calculated Property
Tfus 600.21 K Relay (1.0) Calculated Property
Vc 0.405 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Purine, 6-chloro-8-methyl-. 9H-purine-6(1h)-thione, 2,9-diethyl-. Hypoxanthine, 7-butyl-. Purine, 6-hydroxy-8-hydroxymethyl, TMS. 9H-purine-9-acetamide, 1,6-dihydro-6-thioxo-. 6-Thioxanthine. 9H-purine-6(1h)-thione, 1-[3-(p-tolylthio)propyl]-. Hypoxanthine, 7-(2-hydroxyethyl)-, p-toluenesulfonate. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. 6H-Purine-6-thione, 1,9-dihydro-9-methyl-. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. 2'-Deoxyadenosine, bis(trimethylsilyl) deriv.. 2'-Deoxyadenosine, 3',5'-bis(O-TMSi). Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Find more compounds similar to 6H-Purine-6-thione, 1,7-dihydro-8-methyl-.

Sources

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