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4-chlorothieno[3,2-d]pyrimidine
4-chlorothieno[3,2-d]pyrimidine ID: AN-5075
CAS:16269-66-2
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1ncnc2c1scc2	2735821
FORMULA: C6H3ClN2S
MASS: 170.6194
EXACT MASS: 169.9705468
INTERATOMIC DISTANCES

             Cl   1      S   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   S   2    2.1710     0.0000 
   N   3    3.0000     2.5576     0.0000 
   N   4    1.7320     2.6956     1.7320     0.0000 
   C   5    2.6457     1.6117     1.0000     2.0000     0.0000 
   C   6    1.7320     0.9941     1.7320     1.7320     1.0000     0.0000 
   C   7    3.3393     1.6094     1.8228     2.9792     0.9941     1.6117 
   C   8    1.0000     1.8228     2.0000     1.0000     1.7320     1.0000 
   C   9    3.1210     0.9940     2.5962     3.3000     1.6095     1.6095 
   C  10    2.6457     2.9792     1.0000     1.0000     1.7320     2.0000 
   H  11    3.9419     2.2071     2.0432     3.4394     1.4479     2.2101 
   H  12    3.6188     1.4478     3.1774     3.9140     2.2073     2.2073 
   H  13    3.1407     3.5979     1.4157     1.4158     2.2900     2.6199 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5576     0.0000 
   C   9    0.9940     2.5962     0.0000 
   C  10    2.6956     1.7320     3.3000     0.0000 
   H  11    0.6200     3.1226     1.4478     3.0069     0.0000 
   H  12    1.4478     3.1774     0.6200     3.9140     1.7220     0.0000 
   H  13    3.2152     2.2900     3.8842     0.6200     3.4575     4.4924 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
  Cl   1   -0.0607169631
   S   2   -0.0920758852
   N   3   -0.2347817747
   N   4   -0.2228202866
   C   5    0.0826699313
   C   6    0.0743453068
   C   7   -0.0285297031
   C   8    0.1466302209
   C   9   -0.0215916693
   C  10    0.1183067039
   H  11    0.0644209881
   H  12    0.0694075123
   H  13    0.1047356187


BOND ANGLES
   6    2    9  Car   S2  Car    108.103
   5    3   10  Car  Nar  Car    119.999
   8    4   10  Car  Nar  Car    120.001
   3    5    6  Nar  Car  Car    120.001
   3    5    7  Nar  Car  Car    132.151
   6    5    7  Car  Car  Car    107.848
   2    6    5   S2  Car  Car    107.848
   2    6    8   S2  Car  Car    132.151
   5    6    8  Car  Car  Car    120.001
   5    7    9  Car  Car  Car    108.103
   5    7   11  Car  Car   HC    125.947
   9    7   11  Car  Car   HC    125.950
   1    8    4   Cl  Car  Nar    120.001
   1    8    6   Cl  Car  Car    120.001
   4    8    6  Nar  Car  Car    119.999
   2    9    7   S2  Car  Car    108.098
   2    9   12   S2  Car   HC    125.951
   7    9   12  Car  Car   HC    125.951
   3   10    4  Nar  Car  Nar    120.001
   3   10   13  Nar  Car   HC    119.998
   4   10   13  Nar  Car   HC    120.002


TORSION ANGLES
   9    2    6    5      0.026
   9    2    6    8    179.974
   6    2    9    7      0.026
   6    2    9   12    179.974
  10    3    5    6      0.026
  10    3    5    7    179.974
   5    3   10    4      0.026
   5    3   10   13    179.974
  10    4    8    1    179.974
  10    4    8    6      0.026
   8    4   10    3      0.026
   8    4   10   13    179.974
   3    5    6    2    179.974
   3    5    6    8      0.026
   7    5    6    2      0.026
   7    5    6    8    179.974
   3    5    7    9    179.974
   3    5    7   11      0.026
   6    5    7    9      0.026
   6    5    7   11    179.974
   2    6    8    1      0.026
   2    6    8    4    179.974
   5    6    8    1    179.974
   5    6    8    4      0.026
   5    7    9    2      0.026
   5    7    9   12    179.974
  11    7    9    2    179.974
  11    7    9   12      0.026