Chemical Properties of 2-Phenyl mercapto-3-benzyl pyrazine (CAS 116660-04-9)

2-Phenyl mercapto-3-benzyl pyrazine

InChI
InChI=1S/C17H14N2S/c1-3-7-14(8-4-1)13-16-17(19-12-11-18-16)20-15-9-5-2-6-10-15/h1-12H,13H2
InChI Key
WIRASIBIDHHWLP-UHFFFAOYSA-N
Formula
C17H14N2S
SMILES
c1ccc(Cc2nccnc2Sc2ccccc2)cc1
Molecular Weight1
278.37
CAS
116660-04-9
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Physical Properties

Property Value Unit Source
ΔvapH° 105.27 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.219 Crippen Calculated Property
McVol 215.420 ml/mol McGowan Calculated Property
Tboil 675.67 K Relay (1.0) Calculated Property
Tfus 354.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

N6-TMS-2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. Edulisin III. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Nomifensine M(HO), diacetylated, isomer # 1. 2'-Deoxyadenosine, 3',5'-bis(O-TMTBSi). 2'-Deoxyadenosine, 3',5'-bis-O-cyclotetramethylene-isopropylsilyl. Norscopolamine. Fluspirilene. Aponorscopolamine.

Find more compounds similar to 2-Phenyl mercapto-3-benzyl pyrazine.

Sources

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