Chemical Properties of 9H-purine-6(1h)-thione, 1-[3-(p-tolylthio)propyl]-

9H-purine-6(1h)-thione, 1-[3-(p-tolylthio)propyl]-

InChI
InChI=1S/C15H16N4S2/c1-11-3-5-12(6-4-11)21-8-2-7-19-10-18-14-13(15(19)20)16-9-17-14/h3-6,9-10H,2,7-8H2,1H3,(H,16,17)
InChI Key
ZGHGQLKAPIEWIT-UHFFFAOYSA-N
Formula
C15H16N4S2
SMILES
Cc1ccc(SCCCn2cnc3[nH]cnc3c2=S)cc1
Molecular Weight1
316.44
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 0.6887 Relay (1.0) Calculated Property
ΔfG° 433.47 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 313.42 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 154.30 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -5.63 Relay (1.0) Calculated Property
logPoct/wat 3.498 Crippen Calculated Property
McVol 232.150 ml/mol McGowan Calculated Property
Pc 2681.33 kPa Relay (1.0-beta) Calculated Property
Tboil 743.92 K Relay (1.0) Calculated Property
Tc 1062.93 K Relay (1.0) Calculated Property
Tfus 487.14 K Relay (1.0) Calculated Property
Vc 0.824 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Adenosine-tetrakis(trimethylsilyl)-. N6-TMS-Adenosine, 2',3',5'-tris-O-TBDMS. N6-TBDMS-Adenosine, 2',3',5'-tris-O-TBDMS. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 9H-purine-6(1h)-thione, 1-[3-(p-tolylthio)propyl]-.

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.