2-Methyl-5-(2-thienyl)-3-furancarboxylic acid
C10H8O3S
651005-90-2 Copyright (C) 2025 ACS
 14 15  0  0  0  0  0  0  0  0999 V2000
    1.3338    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840    4.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743    1.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3349    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    3.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    2.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6669    3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064    1.3334    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0738    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9127    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <cas.rn>
651005-90-2

> <ca.index.name>
3-Furancarboxylic acid, 2-methyl-5-(2-thienyl)-

> <molecular.formula>
C10H8O3S

> <smiles.canonical>
O=C(O)C=1C=C(OC1C)C=2SC=CC2

> <molecular.weight>
208.24

> <boiling.point.predicted>
356.925±42.00 °C    Press: 760.00 Torr

> <density.predicted>
1.337±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.379±0.26    Most Acidic Temp: 25 °C

$$$$
