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Geometry for CH2CHSCHCH2 (Divinyl sulfide) 1A C2V

1910171554
InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2 INChIKey=UIYCHXAGWOYNNA-UHFFFAOYSA-N

HF/STO-3G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6411   0.0000 0.6411 0.0000
C2 0.0000 1.3553 -0.4901   1.3553 -0.4901 0.0003
C3 0.0000 -1.3553 -0.4901   -1.3553 -0.4901 -0.0003
C4 -0.0006 2.6120 -0.1197   2.6120 -0.1197 -0.0001
C5 0.0006 -2.6120 -0.1197   -2.6120 -0.1197 0.0001
H6 0.0004 1.0993 -1.5436   1.0993 -1.5436 0.0006
H7 -0.0004 -1.0993 -1.5436   -1.0993 -1.5436 -0.0006
H8 -0.0008 3.4130 -0.8450   3.4130 -0.8450 -0.0001
H9 -0.0012 2.9139 0.9184   2.9139 0.9184 -0.0006
H10 0.0008 -3.4130 -0.8450   -3.4130 -0.8450 0.0001
H11 0.0012 -2.9139 0.9184   -2.9139 0.9184 0.0006
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7653 1.7653 2.7205 2.7205 2.4457 2.4457 3.7225 2.9271 3.7225 2.9271
C2 1.7653 2.7105 1.3102 3.9845 1.0841 2.6711 2.0881 2.1008 4.7814 4.4955
C3 1.7653 2.7105 3.9845 1.3102 2.6711 1.0841 4.7814 4.4955 2.0881 2.1008
C4 2.7205 1.3102 3.9845 5.2239 2.0773 3.9751 1.0805 1.0812 6.0684 5.6226
C5 2.7205 3.9845 1.3102 5.2239 3.9751 2.0773 6.0684 5.6226 1.0805 1.0812
H6 2.4457 1.0841 2.6711 2.0773 3.9751 2.1987 2.4168 3.0584 4.5661 4.7082
H7 2.4457 2.6711 1.0841 3.9751 2.0773 2.1987 4.5661 4.7082 2.4168 3.0584
H8 3.7225 2.0881 4.7814 1.0805 6.0684 2.4168 4.5661 1.8326 6.8260 6.5680
H9 2.9271 2.1008 4.4955 1.0812 5.6226 3.0584 4.7082 1.8326 6.5680 5.8278
H10 3.7225 4.7814 2.0881 6.0684 1.0805 4.5661 2.4168 6.8260 6.5680 1.8326
H11 2.9271 4.4955 2.1008 5.6226 1.0812 4.7082 3.0584 6.5680 5.8278 1.8326
Maximum atom distance is 6.8260Å between atoms H8 and H10.
picture of Divinyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C4 123.727 S1 C3 C5 123.727
C2 S1 C3 100.295
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 116.198 S1 C3 H7 116.198
C2 C4 H8 121.422 C2 C4 H9 122.639
C3 C5 H10 121.422 C3 C5 H11 122.639
C4 C2 H6 120.075 C5 C3 H7 120.075
H8 C4 H9 115.939 H10 C5 H11 115.939

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