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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

QCISD(T)=FULL/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6340 0.6998 -0.0064   1.6639 0.6242 0.0406
S2 -0.4887 -0.7140 0.0155   0.4554 -0.7358 0.0056
S3 1.3572 0.2417 -0.0870   -1.3430 0.3057 -0.1046
H4 1.5523 0.4550 1.2216   -1.5528 0.4948 1.2054
H5 -1.4665 1.3198 -0.8849   1.5412 1.2731 -0.8244
H6 -2.6398 0.2799 -0.0498   2.6502 0.1599 0.0040
H7 -1.5385 1.3018 0.8958   1.5788 1.2071 0.9563
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8196 3.0272 3.4235 1.0882 1.0908 1.0888
S2 1.8196 2.0811 2.6432 2.4296 2.3705 2.4373
S3 3.0272 2.0811 1.3401 3.1260 3.9974 3.2364
H4 3.4235 2.6432 1.3401 3.7813 4.3841 3.2212
H5 1.0882 2.4296 3.1260 3.7813 1.7764 1.7822
H6 1.0908 2.3705 3.9974 4.3841 1.7764 1.7752
H7 1.0888 2.4373 3.2364 3.2212 1.7822 1.7752
Maximum atom distance is 4.3841Å 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 101.588
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 110.821 S2 C1 H6 106.364
S2 C1 H7 111.371 S2 S3 H4 98.866
H5 C1 H6 109.218 H5 C1 H7 109.902
H6 C1 H7 109.071

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