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Geometry for NHCHSH (Methanimidothioic acid) 1A' CS

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

B3LYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.2965 1.0134 0.0000   0.0259 1.6454 0.0000
C2 0.0000 0.7794 0.0000   0.6216 0.4703 0.0000
S3 -0.6419 -0.8720 0.0000   -0.3082 -1.0380 0.0000
H4 1.4012 2.0844 0.0000   0.8169 2.3750 0.0000
H5 -0.8003 1.5473 0.0000   1.7168 0.2953 0.0000
H6 0.5932 -1.4500 0.0000   -1.5143 -0.4017 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4 H5 H6
N1 1.3175 2.7041 1.0761 2.1637 2.5618
C2 1.3175 1.7718 1.9147 1.1091 2.3070
S3 2.7041 1.7718 3.5936 2.4245 1.3637
H4 1.0761 1.9147 3.5936 2.2660 3.6255
H5 2.1637 1.1091 2.4245 2.2660 3.3054
H6 2.5618 2.3070 1.3637 3.6255 3.3054
Maximum atom distance is 3.6255Å 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 121.470
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 125.954 C2 N1 H4 105.810
C2 S3 H6 93.837 S3 C2 H5 112.576

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