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Geometry for NHCHSH (Methanimidothioic acid) 1A' CS

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

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.2529 1.0295 0.0000   0.0638 1.6203 0.0000
C2 0.0000 0.7704 0.0000   0.6140 0.4653 0.0000
S3 -0.6211 -0.8715 0.0000   -0.3195 -1.0214 0.0000
H4 1.3846 2.0409 0.0000   0.7903 2.3363 0.0000
H5 -0.8060 1.5045 0.0000   1.6858 0.2664 0.0000
H6 0.5881 -1.4299 0.0000   -1.4948 -0.3949 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4 H5 H6
N1 1.2794 2.6694 1.0199 2.1129 2.5476
C2 1.2794 1.7554 1.8792 1.0902 2.2775
S3 2.6694 1.7554 3.5363 2.3832 1.3319
H4 1.0199 1.8792 3.5363 2.2553 3.5610
H5 2.1129 1.0902 2.3832 2.2553 3.2487
H6 2.5476 2.2775 1.3319 3.5610 3.2487
Maximum atom distance is 3.5610Å 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 122.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 125.986 C2 N1 H4 109.109
C2 S3 H6 94.065 S3 C2 H5 111.609

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