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Geometry for CHSNH2 (thioformamide) 1A' CS

1910171554
InChI=1S/CH3NS/c2-1-3/h1H,(H2,2,3) INChIKey=CYEBJEDOHLIWNP-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6417 0.0000   -0.4209 -0.4844 0.0000
S2 -0.7753 -0.8087 0.0000   1.1157 0.1020 0.0000
N3 1.3275 0.8209 0.0000   -1.5405 0.2510 0.0000
H4 -0.5585 1.5862 0.0000   -0.6188 -1.5636 0.0000
H5 1.9352 0.0145 0.0000   -1.4703 1.2584 0.0000
H6 1.7352 1.7425 0.0000   -2.4527 -0.1772 0.0000
Atom - Atom Distances (Å)
  C1 S2 N3 H4 H5 H6
C1 1.6446 1.3395 1.0973 2.0343 2.0550
S2 1.6446 2.6603 2.4047 2.8328 3.5793
N3 1.3395 2.6603 2.0353 1.0098 1.0077
H4 1.0973 2.4047 2.0353 2.9477 2.2990
H5 2.0343 2.8328 1.0098 2.9477 1.7395
H6 2.0550 3.5793 1.0077 2.2990 1.7395
Maximum atom distance is 3.5793Å between atoms S2 and H6.
picture of thioformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 N3 125.816
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.312 C1 N3 H6 121.557
S2 C1 H4 121.279 H5 N3 H6 119.131

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