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Geometry for CH2CHSH (Ethenethiol) 1A' CS

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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2847 1.1019 0.0000   1.6725 0.2593 0.0000
C2 0.0000 0.7658 0.0000   0.5817 -0.4980 0.0000
S3 -0.6914 -0.8573 0.0000   -1.1009 0.0323 0.0000
H4 2.0803 0.3676 0.0000   1.6321 1.3411 0.0000
H5 1.5766 2.1430 0.0000   2.6532 -0.1960 0.0000
H6 -0.7700 1.5272 0.0000   0.6594 -1.5781 0.0000
H7 0.4677 -1.5262 0.0000   -0.8551 1.3478 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.3280 2.7828 1.0826 1.0812 2.0983 2.7521
C2 1.3280 1.7642 2.1180 2.0934 1.0829 2.3392
S3 2.7828 1.7642 3.0303 3.7611 2.3859 1.3383
H4 1.0826 2.1180 3.0303 1.8454 3.0771 2.4873
H5 1.0812 2.0934 3.7611 1.8454 2.4260 3.8330
H6 2.0983 1.0829 2.3859 3.0771 2.4260 3.2947
H7 2.7521 2.3392 1.3383 2.4873 3.8330 3.2947
Maximum atom distance is 3.8330Å 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 127.736
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.657 C2 C1 H4 122.631
C2 C1 H5 120.324 C2 S3 H7 96.910
S3 C2 H6 111.607 H4 C1 H5 117.045

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