Chemical Properties of Purine-6(1h)-one, 1-[2-(p-tolythio)ethyl]- (CAS 7702-67-2)

Purine-6(1h)-one, 1-[2-(p-tolythio)ethyl]-

InChI
InChI=1S/C14H14N4OS/c1-10-2-4-11(5-3-10)20-7-6-18-9-17-13-12(14(18)19)15-8-16-13/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChI Key
VAYFKKRRGNTGQQ-UHFFFAOYSA-N
Formula
C14H14N4OS
SMILES
Cc1ccc(SCCn2cnc3nc[nH]c3c2=O)cc1
Molecular Weight1
286.35
CAS
7702-67-2
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Physical Properties

Property Value Unit Source
ω 0.6811 Relay (1.0) Calculated Property
ΔfG° 341.23 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 170.72 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 132.60 kJ/mol Relay (1.0) Calculated Property
IE 8.53 eV Relay (1.0) Calculated Property
log10WS -4.10 Relay (1.0) Calculated Property
logPoct/wat 1.738 Crippen Calculated Property
McVol 207.580 ml/mol McGowan Calculated Property
Pc 3096.59 kPa Relay (1.0-beta) Calculated Property
Tboil 720.94 K Relay (1.0) Calculated Property
Tc 1042.26 K Relay (1.0) Calculated Property
Tfus 454.63 K Relay (1.0) Calculated Property
Vc 0.765 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine-6(1h)-thione, 9-benzyl-1-[2-(p-tolylthio)ethyl]-. 9H-purine, 2-amino-6-methyl-9-beta-d-ribofuranosyl-. cis-1,2-Tetralinediol, ferrocenylboronate. Noscapine. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Butorphanol di-TMS derivative. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. N-Desmethylmirtazapine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 3'-acetylmyoscorpine. N6-TBDMS-Adenosine, 2',3',5'-tris-O-TBDMS. 7-diacetyllycopsamine. N6-TMS-Adenosine, 2',3',5'-tris-O-TBDMS.

Find more compounds similar to Purine-6(1h)-one, 1-[2-(p-tolythio)ethyl]-.

Sources

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