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

2-Phenyl mercapto-3-benzyl pyrazine

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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
ω 0.4892 Relay (... Calculated Property
ΔfG° 436.34 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 433.74 kJ/mol Relay (... Calculated Property
ΔvapH° 105.83 kJ/mol Relay (... Calculated Property
IE 8.30 eV Relay (... Calculated Property
log10WS -4.44 Relay (... Calculated Property
logPoct/wat 4.219 Crippen Calculated Property
McVol 215.420 ml/mol McGowan Calculated Property
Pc 3170.12 kPa Relay (... Calculated Property ⚠️
Tboil 675.67 K Relay (... Calculated Property
Tc 965.25 K Relay (... Calculated Property
Tfus 358.01 K Relay (... Calculated Property
Vc 0.774 m3/kmol Relay (... Calculated Property

Similar Compounds

N6-TMS-2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. Edulisin III. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 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»)]-. 2'-Deoxyadenosine, 3',5'-bis-O-cyclotetramethylene-isopropylsilyl. 2'-Deoxyadenosine, 3',5'-bis(O-TMTBSi). Nomifensine M(HO), diacetylated, isomer # 1. Fluspirilene. Norscopolamine. Aponorscopolamine.

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

Sources

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