Molecule FYI-1011962

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Molecule Summary:

ID: FYI-1011962
Names:
InChIKey: ZZVXPULXVUPONS-UHFFFAOYSA-N
SMILES: C=CCS(=S)OC

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011962 Edit

Molecule Structure InChIKey: ZZVXPULXVUPONS-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCS(=S)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011962
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 S   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011962-3D
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.4342    1.0230   -0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914    0.0261    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.5369   -0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0220   -0.3518   -0.3997 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.1090   -1.5399    1.1905 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5741   -1.3597   -1.5363 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898   -1.4520   -1.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    1.3438    0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943    1.5346   -1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488   -0.4551    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -0.0181   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639   -1.5971   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196   -2.0195   -2.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4163   -1.9942   -0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4512   -0.4619   -1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

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