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(thiophen-3-yl)methanamine
(thiophen-3-yl)methanamine
ID: BP-12034
CAS:115132-84-8
Supplier:BroadPharm

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SMILES:c1(cscc1)CN	
FORMULA: C5H7NS
MASS: 113.1808
EXACT MASS: 113.0299202
INTERATOMIC DISTANCES

              C   1      S   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   S   2    0.9708     0.0000 
   C   3    0.5992     0.6026     0.0000 
   C   4    0.5995     0.9726     0.9724     0.0000 
   C   5    0.9692     0.6008     0.9724     0.6000     0.0000 
   N   6    1.0399     1.7422     1.1429     1.6307     1.9658     0.0000 
   C   7    0.6011     1.5216     1.0057     1.1199     1.5682     0.6000 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.0038067821
   S   2   -0.0862213990
   C   3    0.0326287271
   C   4    0.0046658025
   C   5    0.0351740691
   N   6   -0.1261986105
   C   7    0.1361446287


BOND ANGLES
   3    1    4  Car  Car  Car    108.434
   3    1    7  Car  Car   C3    113.824
   4    1    7  Car  Car   C3    137.742
   3    2    5  Car   S2  Car    107.816
   1    3    2  Car  Car   S2    107.762
   1    4    5  Car  Car  Car    107.803
   2    5    4   S2  Car  Car    108.185
   1    7    6  Car   C3   N3    119.939


TORSION ANGLES
   5    2    3    1      0.026
   2    3    1    4      0.026
   2    3    1    7    179.974
   5    4    1    3      0.026
   5    4    1    7    179.974
   2    5    4    1      0.026
   6    7    1    3      0.026
   6    7    1    4    179.974
   4    5    2    3      0.026