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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

1910171554
InChI=1S/C2H4S/c1-2-3/h2H,1H3 INChIKey=QJFUMFCCMJJLIE-UHFFFAOYSA-N

MP3/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6262 0.0000   -0.3511 0.5185 0.0000
C2 -1.5035 0.7008 0.0000   -1.6379 -0.2627 0.0000
S3 0.8853 -0.7367 0.0000   1.1461 -0.1136 0.0000
H4 0.5107 1.6035 0.0000   -0.4762 1.6140 0.0000
H5 -1.9540 -0.3026 0.0000   -1.4483 -1.3461 0.0000
H6 -1.8500 1.2622 0.8871   -2.2396 0.0079 0.8871
H7 -1.8500 1.2622 -0.8871   -2.2396 0.0079 -0.8871
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.5054 1.6251 1.1027 2.1635 2.1481 2.1481
C2 1.5054 2.7879 2.2072 1.0999 1.1056 1.1056
S3 1.6251 2.7879 2.3699 2.8723 3.5021 3.5021
H4 1.1027 2.2072 2.3699 3.1157 2.5449 2.5449
H5 2.1635 1.0999 2.8723 3.1157 1.8018 1.8018
H6 2.1481 1.1056 3.5021 2.5449 1.8018 1.7743
H7 2.1481 1.1056 3.5021 2.5449 1.8018 1.7743
Maximum atom distance is 3.5021Å between atoms S3 and H6.
picture of Thioacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 S3 125.847
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.338 C1 C2 H6 109.767
C1 C2 H7 109.767 C2 C1 H4 114.749
S3 C1 H4 119.403 H5 C2 H6 109.569
H5 C2 H7 109.569 H6 C2 H7 106.722

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.