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Geometry for CH2CHSH (Ethenethiol) 1A' CS

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

HF/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3105 1.1300 0.0000   1.7087 0.2731 0.0000
C2 0.0000 0.8015 0.0000   0.6126 -0.5168 0.0000
S3 -0.7027 -0.8818 0.0000   -1.1271 0.0314 0.0000
H4 2.1025 0.3962 0.0000   1.6585 1.3516 0.0000
H5 1.6003 2.1714 0.0000   2.6916 -0.1768 0.0000
H6 -0.7763 1.5487 0.0000   0.6833 -1.5919 0.0000
H7 0.4538 -1.5966 0.0000   -0.9278 1.3764 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.3511 2.8461 1.0797 1.0810 2.1284 2.8580
C2 1.3511 1.8241 2.1412 2.1066 1.0775 2.4407
S3 2.8461 1.8241 3.0826 3.8244 2.4316 1.3596
H4 1.0797 2.1412 3.0826 1.8449 3.1009 2.5864
H5 1.0810 2.1066 3.8244 1.8449 2.4568 3.9386
H6 2.1284 1.0775 2.4316 3.1009 2.4568 3.3773
H7 2.8580 2.4407 1.3596 2.5864 3.9386 3.3773
Maximum atom distance is 3.9386Å 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 126.732
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.019 C2 C1 H4 123.109
C2 C1 H5 119.625 C2 S3 H7 99.061
S3 C2 H6 111.249 H4 C1 H5 117.266

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