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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

MP3=FULL/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6281 0.6965 -0.0064   1.6580 0.6208 0.0396
S2 -0.4868 -0.7110 0.0153   0.4535 -0.7328 0.0058
S3 1.3524 0.2409 -0.0866   -1.3382 0.3049 -0.1040
H4 1.5453 0.4522 1.2173   -1.5453 0.4929 1.2014
H5 -1.4652 1.3131 -0.8840   1.5396 1.2656 -0.8248
H6 -2.6309 0.2782 -0.0454   2.6412 0.1579 0.0075
H7 -1.5310 1.2993 0.8910   1.5718 1.2053 0.9501
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8123 3.0162 3.4099 1.0849 1.0873 1.0854
S2 1.8123 2.0734 2.6319 2.4214 2.3621 2.4287
S3 3.0162 2.0734 1.3350 3.1184 3.9837 3.2233
H4 3.4099 2.6319 1.3350 3.7709 4.3664 3.2074
H5 1.0849 2.4214 3.1184 3.7709 1.7701 1.7763
H6 1.0873 2.3621 3.9837 4.3664 1.7701 1.7690
H7 1.0854 2.4287 3.2233 3.2074 1.7763 1.7690
Maximum atom distance is 4.3664Å 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 101.623
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 110.888 S2 C1 H6 106.406
S2 C1 H7 111.412 S2 S3 H4 98.789
H5 C1 H6 109.158 H5 C1 H7 109.863
H6 C1 H7 109.018

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