Sign In Join Free

Products Information


ID: 1701407852
Supplier:Focus Synthesis LLC.

Get a quote


SMILES:n1scc(c1)N	
FORMULA: C3H4N2S
MASS: 100.1423
EXACT MASS: 100.0095191
INTERATOMIC DISTANCES

              N   1      C   2      S   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.3248     0.0000 
   S   3    0.8168     1.3269     0.0000 
   C   4    1.3178     0.8250     0.8113     0.0000 
   C   5    0.8096     0.8284     1.3217     1.3282     0.0000 
   N   6    2.1340     0.8186     2.0982     1.4213     1.5126     0.0000 




ATOMIC CHARGES
   N   1   -0.2061431693
   C   2    0.1167161756
   S   3    0.0150146719
   C   4    0.0744055171
   C   5    0.1258221131
   N   6   -0.1258153085


BOND ANGLES
   3    1    5   S2  Nar  Car    108.705
   5    2    6  Car  Car  Npl    133.385
   4    2    5  Car  Car  Car    106.900
   4    2    6  Car  Car  Npl    119.714
   1    3    4  Nar   S2  Car    108.076
   2    4    3  Car  Car   S2    108.373
   1    5    2  Nar  Car  Car    107.945


TORSION ANGLES
   6    2    5    1    179.974
   4    2    5    1      0.026
   4    3    1    5      0.026
   2    4    3    1      0.026
   2    5    1    3      0.026
   3    4    2    5      0.026
   3    4    2    6    179.974