Molecule FYI-1002398

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Molecule Summary:

ID: FYI-1002398
Names:
InChIKey: YYWACUFAVLSCPF-UHFFFAOYSA-N
SMILES: BrCCSCCBr

Received at FYIcenter.com on: 2023-03-14

Molecule ID: FYI-1002398 Edit

Molecule Structure InChIKey: YYWACUFAVLSCPF-UHFFFAOYSA-N

Molecule Structure SMILES String: BrCCSCCBr

Download SDF Download SVG Structure in 2D SDF:

FYI-1002398
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.7621    2.4249    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002398-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
   -4.1548    0.7739   -0.0231 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1529    0.7759    0.0230 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0030   -0.9610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710    0.2236    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    0.2212   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930   -0.5166    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -0.5169   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    0.8447    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912    0.8786   -0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867    0.8430   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    0.8771    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181   -1.1404   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8441   -1.1201    0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195   -1.1403    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -1.1203   -0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 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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2023-04-13, 609👍, 0💬