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Geometry for CH2CHSH (Ethenethiol) 1A' CS

1910171554
InChI=1S/C2H4S/c1-2-3/h2-3H,1H2 INChIKey=QDXBVEACAWKSFL-UHFFFAOYSA-N

PBE1PBE/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2877 1.1364 0.0000   1.6967 0.2660 0.0000
C2 0.0000 0.7938 0.0000   0.6111 -0.5066 0.0000
S3 -0.6936 -0.8837 0.0000   -1.1229 0.0300 0.0000
H4 2.0934 0.4083 0.0000   1.6504 1.3511 0.0000
H5 1.5733 2.1832 0.0000   2.6849 -0.1821 0.0000
H6 -0.7948 1.5322 0.0000   0.6723 -1.5898 0.0000
H7 0.4994 -1.5663 0.0000   -0.8871 1.3841 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.3324 2.8295 1.0860 1.0850 2.1197 2.8153
C2 1.3324 1.8152 2.1286 2.0990 1.0849 2.4123
S3 2.8295 1.8152 3.0719 3.8137 2.4180 1.3745
H4 1.0860 2.1286 3.0719 1.8495 3.0992 2.5377
H5 1.0850 2.0990 3.8137 1.8495 2.4560 3.9002
H6 2.1197 1.0849 2.4180 3.0992 2.4560 3.3579
H7 2.8153 2.4123 1.3745 2.5377 3.9002 3.3579
Maximum atom distance is 3.9002Å between atoms H5 and H7.
picture of Ethenethiol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 S3 127.363
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.207 C2 C1 H4 123.000
C2 C1 H5 120.165 C2 S3 H7 97.313
S3 C2 H6 110.429 H4 C1 H5 116.835

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