Chemical Properties of 2-Phenyl mercapto-3-phenacyl pyrazine (CAS 116659-82-6)

2-Phenyl mercapto-3-phenacyl pyrazine

InChI
InChI=1S/C18H14N2OS/c21-17(14-7-3-1-4-8-14)13-16-18(20-12-11-19-16)22-15-9-5-2-6-10-15/h1-12H,13H2
InChI Key
LKHVCKQOAXGSDE-UHFFFAOYSA-N
Formula
C18H14N2OS
SMILES
O=C(Cc1nccnc1Sc1ccccc1)c1ccccc1
Molecular Weight1
306.38
CAS
116659-82-6
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Physical Properties

Property Value Unit Source
ω 0.5788 Relay (1.0) Calculated Property
ΔfG° 323.48 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 272.56 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 115.66 kJ/mol Relay (1.0) Calculated Property
IE 8.27 eV Relay (1.0) Calculated Property
log10WS -4.48 Relay (1.0) Calculated Property
logPoct/wat 4.053 Crippen Calculated Property
McVol 231.080 ml/mol McGowan Calculated Property
Pc 2896.36 kPa Relay (1.0-beta) Calculated Property
Tboil 692.25 K Relay (1.0) Calculated Property
Tc 1009.40 K Relay (1.0) Calculated Property
Tfus 389.65 K Relay (1.0) Calculated Property
Vc 0.823 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TBDMS-17-HFB. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester. Penbutolol, TBDMS. Butorphanol di-TMS derivative. Naloxone. Tazettine. Benazepril Me. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Oxycodone. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Glyceollin III, TMS.

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

Sources

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