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Geometry for CH3SSH (Hydrogen methyl disulfide) 1A C1

1910171554
InChI=1S/CH4S2/c1-3-2/h2H,1H3 INChIKey=KFLNNVFDKSNGBW-UHFFFAOYSA-N

BLYP/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6952 0.6986 -0.0055   -1.6614 0.7755 -0.0179
S2 -0.4928 -0.7155 0.0156   -0.5251 -0.6923 -0.0080
S3 1.3934 0.2466 -0.0892   1.4045 0.1843 -0.0611
H4 1.6132 0.4543 1.2453   1.6105 0.3538 1.2810
H5 -1.5499 1.3195 -0.8988   -1.4725 1.4077 -0.8950
H6 -2.6916 0.2309 -0.0411   -2.6772 0.3548 -0.0799
H7 -1.6092 1.3059 0.9055   -1.5636 1.3590 0.9073
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8563 3.1226 3.5454 1.0976 1.1013 1.0982
S2 1.8563 2.1200 2.7049 2.4687 2.3945 2.4747
S3 3.1226 2.1200 1.3684 3.2356 4.0853 3.3357
H4 3.5454 2.7049 1.3684 3.9180 4.4985 3.3503
H5 1.0976 2.4687 3.2356 3.9180 1.7956 1.8053
H6 1.1013 2.3945 4.0853 4.4985 1.7956 1.7953
H7 1.0982 2.4747 3.3357 3.3503 1.8053 1.7953
Maximum atom distance is 4.4985Å between atoms H4 and H6.
picture of Hydrogen methyl disulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 S2 S3 103.299
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 110.755 S2 C1 H6 105.244
S2 C1 H7 111.172 S2 S3 H4 99.418
H5 C1 H6 109.496 H5 C1 H7 110.601
H6 C1 H7 109.424

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