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Geometry for NHCHSH (Methanimidothioic acid) 1A' CS

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

PBE1PBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.2288 1.0490 0.0000   1.5791 0.3415 0.0000
C2 0.0000 0.7669 0.0000   0.6100 -0.4648 0.0000
S3 -0.6096 -0.8778 0.0000   -1.0677 0.0472 0.0000
H4 1.3642 2.0576 0.0000   2.4634 -0.1621 0.0000
H5 -0.8219 1.4898 0.0000   0.6868 -1.5567 0.0000
H6 0.6106 -1.4471 0.0000   -0.7808 1.3628 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4 H5 H6
N1 1.2607 2.6631 1.0177 2.0975 2.5715
C2 1.2607 1.7541 1.8780 1.0946 2.2967
S3 2.6631 1.7541 3.5373 2.3771 1.3465
H4 1.0177 1.8780 3.5373 2.2586 3.5848
H5 2.0975 1.0946 2.3771 2.2586 3.2676
H6 2.5715 2.2967 1.3465 3.5848 3.2676
Maximum atom distance is 3.5848Å between atoms H4 and H6.
picture of Methanimidothioic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 S3 123.267
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 125.739 C2 N1 H4 110.577
C2 S3 H6 94.672 S3 C2 H5 110.994

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