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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

HF/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 1.0732   0.0000 0.0000 1.0732
S2 0.0000 1.6581 -0.1639   1.5143 0.6755 -0.1639
S3 0.0000 -1.6581 -0.1639   -1.5143 -0.6755 -0.1639
C4 1.7474 1.7906 -0.6283   0.9234 2.3253 -0.6283
C5 -1.7474 -1.7906 -0.6283   -0.9234 -2.3253 -0.6283
H6 1.8335 2.6784 -1.2411   1.6991 2.7656 -1.2411
H7 -1.8335 -2.6784 -1.2411   -1.6991 -2.7656 -1.2411
H8 2.3662 1.8972 0.2496   0.7687 2.9338 0.2496
H9 2.0554 0.9297 -1.2026   0.0117 2.2559 -1.2026
H10 -2.3662 -1.8972 0.2496   -0.7687 -2.9338 0.2496
H11 -2.0554 -0.9297 -1.2026   -0.0117 -2.2559 -1.2026
Atom - Atom Distances (Å)
  S1 S2 S3 C4 C5 H6 H7 H8 H9 H10 H11
S1 2.0687 2.0687 3.0257 3.0257 3.9864 3.9864 3.1427 3.2044 3.1427 3.2044
S2 2.0687 3.3163 1.8129 3.8940 2.3586 4.8298 2.4139 2.4154 4.2907 3.4642
S3 2.0687 3.3163 3.8940 1.8129 4.8298 2.3586 4.2907 3.4642 2.4139 2.4154
C4 3.0257 1.8129 3.8940 5.0039 1.0821 5.7593 1.0793 1.0797 5.5940 4.7108
C5 3.0257 3.8940 1.8129 5.0039 5.7593 1.0821 5.5940 4.7108 1.0793 1.0797
H6 3.9864 2.3586 4.8298 1.0821 5.7593 6.4916 1.7653 1.7631 6.3871 5.3050
H7 3.9864 4.8298 2.3586 5.7593 1.0821 6.4916 6.3871 5.3050 1.7653 1.7631
H8 3.1427 2.4139 4.2907 1.0793 5.5940 1.7653 6.3871 1.7724 6.0657 5.4453
H9 3.2044 2.4154 3.4642 1.0797 4.7108 1.7631 5.3050 1.7724 5.4453 4.5118
H10 3.1427 4.2907 2.4139 5.5940 1.0793 6.3871 1.7653 6.0657 5.4453 1.7724
H11 3.2044 3.4642 2.4154 4.7108 1.0797 5.3050 1.7631 5.4453 4.5118 1.7724
Maximum atom distance is 6.4916Å 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 102.225 S1 S3 C5 102.225
S2 S1 S3 106.551
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C4 H6 106.361 S2 C4 H8 110.574
S2 C4 H9 110.667 S3 C5 H7 106.361
S3 C5 H10 110.574 S3 C5 H11 110.667
H6 C4 H8 109.511 H6 C4 H9 109.281
H7 C5 H10 109.511 H7 C5 H11 109.281
H8 C4 H9 110.354 H10 C5 H11 110.354

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