Chemical Properties of Adenine, n-[o-(methylthio)phenyl]-

Adenine, n-[o-(methylthio)phenyl]-

InChI
InChI=1S/C12H11N5S/c1-18-9-5-3-2-4-8(9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChI Key
KMFJDXWOXHUCSJ-UHFFFAOYSA-N
Formula
C12H11N5S
SMILES
CSc1ccccc1Nc1ncnc2[nH]cnc12
Molecular Weight1
257.31
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 0.6128 Relay (1.0) Calculated Property
ΔfG° 473.87 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 347.71 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 120.15 kJ/mol Relay (1.0) Calculated Property
IE 7.76 eV Relay (1.0) Calculated Property
log10WS -4.30 Relay (1.0) Calculated Property
logPoct/wat 2.337 Crippen Calculated Property
McVol 183.510 ml/mol McGowan Calculated Property
Pc 6081.15 kPa Relay (1.0-beta) Calculated Property
Tboil 688.31 K Relay (1.0) Calculated Property
Tc 1073.37 K Relay (1.0) Calculated Property
Tfus 501.18 K Relay (1.0) Calculated Property
Vc 0.656 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenine, n-[p-(methylthio)phenyl]-. Purine, 6-[p-(beta-chloroethylthio)anilino]-. Cytidine, dimethyl-TMS derivative. 5-methyluridine, 2',3',5'-tris(O-TMSi). Quinapril Me. 5-Methyluridine, tris(trimethylsilyl) deriv.. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. guanosine, TMS. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Adenine, n-[o-(methylthio)phenyl]-.

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.