Molecule FYI-1015313

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Molecule Summary:

ID: FYI-1015313
Names:
InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N
SMILES: CNS(C)(=O)=O

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015313 Edit

Molecule Structure InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N

Molecule Structure SMILES String: CNS(C)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015313
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   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  2  0  0  0  0
  6  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015313-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
   -0.5457   -0.1121    0.0497 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -0.4103    1.4656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599   -0.5824   -0.8742 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855   -0.5798   -0.5428 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    1.6537   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    0.0310    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539   -0.7381   -1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.8921   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135    2.0740    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194    2.0478    0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -0.6299   -0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    0.1562    1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3969    0.9943   -0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-08-18, 860👍, 0💬