Molecule Editor

Molecule ID: FYI-1016188 Edit

Molecule Structure InChIKey: BTJPFKNQABRTTF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)OC(=S)CC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016188
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016188-3D
FYIcenter.com

 29 28  0     1  0  0  0  0  0999 V2000
   -0.8444    2.7984   -0.4646 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.9391    0.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -0.9167    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246    0.0598   -0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098   -0.2161    0.4287 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4215    0.0407   -0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550   -0.1668    0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5811   -2.0749   -0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632    1.1847   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099   -0.4884    1.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257   -1.1597   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.3509    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247   -1.1022    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0038    0.4707   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -0.4790   -1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888    0.2814   -1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281    0.9250   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6234    0.3438    0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489    0.5765    1.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -0.8607    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881   -1.7123   -1.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0150   -2.7655    0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -2.6412   -1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    0.3327    2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715   -0.5551    2.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769   -1.4231    1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078   -1.3337   -0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407   -0.9840   -1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400   -2.0684   -1.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$