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Geometry for NHCHSH (Methanimidothioic acid) 1A' CS

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

mPW1PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.2379 1.0446 0.0000   0.0756 1.6180 0.0000
C2 0.0000 0.7688 0.0000   0.6101 0.4678 0.0000
S3 -0.6145 -0.8768 0.0000   -0.3218 -1.0212 0.0000
H4 1.3812 2.0534 0.0000   0.7890 2.3456 0.0000
H5 -0.8162 1.4991 0.0000   1.6862 0.2646 0.0000
H6 0.6023 -1.4490 0.0000   -1.5164 -0.4038 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4 H5 H6
N1 1.2683 2.6689 1.0190 2.1038 2.5733
C2 1.2683 1.7566 1.8863 1.0952 2.2981
S3 2.6689 1.7566 3.5453 2.3844 1.3447
H4 1.0190 1.8863 3.5453 2.2662 3.5880
H5 2.1038 1.0952 2.3844 2.2662 3.2716
H6 2.5733 2.2981 1.3447 3.5880 3.2716
Maximum atom distance is 3.5880Å 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 123.038
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 125.618 C2 N1 H4 110.643
C2 S3 H6 94.707 S3 C2 H5 111.344

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