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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

1910171554
InChI=1S/C2H6S/c1-3-2/h1-2H3 INChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N

CBS-Q


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6551   0.6551 0.0000 0.0000
C2 0.0000 1.3877 -0.5081   -0.5081 0.0000 1.3877
C3 0.0000 -1.3877 -0.5081   -0.5081 0.0000 -1.3877
H4 0.0000 2.3022 0.0759   0.0759 0.0000 2.3022
H5 0.0000 -2.3022 0.0759   0.0759 0.0000 -2.3022
H6 0.8872 1.3732 -1.1341   -1.1341 0.8872 1.3732
H7 -0.8872 1.3732 -1.1341   -1.1341 -0.8872 1.3732
H8 -0.8872 -1.3732 -1.1341   -1.1341 -0.8872 -1.3732
H9 0.8872 -1.3732 -1.1341   -1.1341 0.8872 -1.3732
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8108 1.8108 2.3740 2.3740 2.4237 2.4237 2.4237 2.4237
C2 1.8108 2.7753 1.0851 3.7358 1.0859 1.0859 2.9667 2.9667
C3 1.8108 2.7753 3.7358 1.0851 2.9667 2.9667 1.0859 1.0859
H4 2.3740 1.0851 3.7358 4.6044 1.7647 1.7647 3.9699 3.9699
H5 2.3740 3.7358 1.0851 4.6044 3.9699 3.9699 1.7647 1.7647
H6 2.4237 1.0859 2.9667 1.7647 3.9699 1.7744 3.2698 2.7464
H7 2.4237 1.0859 2.9667 1.7647 3.9699 1.7744 2.7464 3.2698
H8 2.4237 2.9667 1.0859 3.9699 1.7647 3.2698 2.7464 1.7744
H9 2.4237 2.9667 1.0859 3.9699 1.7647 2.7464 3.2698 1.7744
Maximum atom distance is 4.6044Å between atoms H4 and H5.
picture of Dimethyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 C3 100.054
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.462 S1 C2 H6 111.108
S1 C2 H7 111.108 S1 C3 H5 107.462
S1 C3 H8 111.108 S1 C3 H9 111.108
H4 C2 H6 108.753 H4 C2 H7 108.753
H5 C3 H8 108.753 H5 C3 H9 108.753
H6 C2 H7 109.577 H8 C3 H9 109.577

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