2-[(3,4-Dihydro-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)thio]acetic aci...
C20H16N4O2S2
312946-37-5 Copyright (C) 2024 ACS
 28 31  0  0  0  0  0  0  0  0999 V2000
    4.3299    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    4.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9982    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3319    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6657    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3319    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9993    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6635    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191    7.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6770    9.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9971    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5368    6.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    8.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    5.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9971    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6635    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
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M  END
> <cas.rn>
312946-37-5

> <cas.index.name>
Acetic acid, 2-[(3,4-dihydro-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)thio]-, hydrazide

> <molecular.formula>
C20H16N4O2S2

> <molecular.weight>
408.50

> <density.predicted>
1.454±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.871±0.37    Most Acidic Temp: 25 °C

$$$$
