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Geometry for CH3SSSCH3 (dimethyl trisulfide) 1A C2

1910171554
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3 INChIKey=YWHLKYXPLRWGSE-UHFFFAOYSA-N

B97D3/6-311+G(3df,2p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 1.0656   0.0000 0.0000 1.0656
S2 0.0000 1.6718 -0.1471   1.5303 0.6730 -0.1471
S3 0.0000 -1.6718 -0.1471   -1.5303 -0.6730 -0.1471
C4 1.7478 1.8014 -0.6485   0.9454 2.3250 -0.6485
C5 -1.7478 -1.8014 -0.6485   -0.9454 -2.3250 -0.6485
H6 1.8212 2.6848 -1.2899   1.7245 2.7479 -1.2899
H7 -1.8212 -2.6848 -1.2899   -1.7245 -2.7479 -1.2899
H8 2.3891 1.9238 0.2259   0.7993 2.9614 0.2259
H9 2.0362 0.9147 -1.2165   0.0176 2.2322 -1.2165
H10 -2.3891 -1.9238 0.2259   -0.7993 -2.9614 0.2259
H11 -2.0362 -0.9147 -1.2165   -0.0176 -2.2322 -1.2165
Atom - Atom Distances (Å)
  S1 S2 S3 C4 C5 H6 H7 H8 H9 H10 H11
S1 2.0653 2.0653 3.0393 3.0393 4.0091 4.0091 3.1802 3.1923 3.1802 3.1923
S2 2.0653 3.3436 1.8229 3.9203 2.3767 4.8582 2.4311 2.4214 4.3330 3.4611
S3 2.0653 3.3436 3.9203 1.8229 4.8582 2.3767 4.3330 3.4611 2.4311 2.4214
C4 3.0393 1.8229 3.9203 5.0198 1.0942 5.7684 1.0912 1.0918 5.6351 4.6924
C5 3.0393 3.9203 1.8229 5.0198 5.7684 1.0942 5.6351 4.6924 1.0912 1.0918
H6 4.0091 2.3767 4.8582 1.0942 5.7684 6.4884 1.7887 1.7846 6.4236 5.2765
H7 4.0091 4.8582 2.3767 5.7684 1.0942 6.4884 6.4236 5.2765 1.7887 1.7846
H8 3.1802 2.4311 4.3330 1.0912 5.6351 1.7887 6.4236 1.7953 6.1347 5.4517
H9 3.1923 2.4214 3.4611 1.0918 4.6924 1.7846 5.2765 1.7953 5.4517 4.4645
H10 3.1802 4.3330 2.4311 5.6351 1.0912 6.4236 1.7887 6.1347 5.4517 1.7953
H11 3.1923 3.4611 2.4214 4.6924 1.0918 5.2765 1.7846 5.4517 4.4645 1.7953
Maximum atom distance is 6.4884Å between atoms H6 and H7.
picture of dimethyl trisulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 C4 106.603 S1 S3 C5 106.603
S2 S1 S3 114.528
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C4 H6 105.686 S2 C4 H8 112.251
S2 C4 H9 112.397 S3 C5 H7 105.686
S3 C5 H10 112.251 S3 C5 H11 112.397
H6 C4 H8 108.761 H6 C4 H9 108.428
H7 C5 H10 108.761 H7 C5 H11 108.428
H8 C4 H9 109.146 H10 C5 H11 109.146

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