IUPAC Name :ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate
InChI :InChI=1/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
Std.InChI: InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
InChIKey :OGQICQVSFDPSEI-UHFFFAOYAD
Std.InChIKey: OGQICQVSFDPSEI-UHFFFAOYSA-N
SMILES :CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
MDL: MFCD00867628
Molar Refractivity :101.39 ± 0.4 cm3 (est)
Parachor :790.3 ± 6.0 cm3 (est)
Index of Refraction :1.624 ± 0.03
(est)
Surface Tension :57.5 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :40.19 ± 0.5 10-24cm3 (est)