Chemical Properties of Adenine, n-[2-[[2-(p-tolylthio)ethyl]thio]ethyl]-

Adenine, n-[2-[[2-(p-tolylthio)ethyl]thio]ethyl]-

InChI
InChI=1S/C16H19N5S2/c1-12-2-4-13(5-3-12)23-9-8-22-7-6-17-15-14-16(19-10-18-14)21-11-20-15/h2-5,10-11H,6-9H2,1H3,(H2,17,18,19,20,21)
InChI Key
NGMPHTILBPAGMZ-UHFFFAOYSA-N
Formula
C16H19N5S2
SMILES
Cc1ccc(SCCSCCNc2nc[nH]c3ncnc2-3)cc1
Molecular Weight1
345.49
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7572 Relay (1.0) Calculated Property
ΔfG° 484.47 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 325.10 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 143.62 kJ/mol Relay (1.0) Calculated Property
IE 8.33 eV Relay (1.0) Calculated Property
log10WS -5.18 Relay (1.0) Calculated Property
logPoct/wat 3.068 Crippen Calculated Property
McVol 256.220 ml/mol McGowan Calculated Property
Pc 3017.45 kPa Relay (1.0-beta) Calculated Property
Tboil 759.64 K Relay (1.0) Calculated Property
Tc 1094.44 K Relay (1.0) Calculated Property
Tfus 454.40 K Relay (1.0) Calculated Property
Vc 0.896 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

xanthosine-5'-monophosphate, TMS. inosine-5'-monophosphate, TMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Norcodeine. Galantamin. Hydromorphone, tert-butyldimethylsilyl ether. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Deserpidine. Normorphine TMS. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. TCN.

Find more compounds similar to Adenine, n-[2-[[2-(p-tolylthio)ethyl]thio]ethyl]-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.