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2,4-dichlorothieno[3,2-d]pyrimidine
2,4-dichlorothieno[3,2-d]pyrimidine ID: AN-2355
CAS:16234-14-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1nc(Cl)nc2c1scc2	12712832
FORMULA: C6H2Cl2N2S
MASS: 205.0645
EXACT MASS: 203.9315744
INTERATOMIC DISTANCES

             Cl   1     Cl   2      S   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   S   3    2.1710     3.9773     0.0000 
   N   4    3.0000     1.7320     2.5576     0.0000 
   N   5    1.7320     1.7320     2.6956     1.7320     0.0000 
   C   6    2.6458     2.6458     1.6117     1.0001     2.0000     0.0000 
   C   7    1.7321     3.0000     0.9941     1.7321     1.7321     1.0000 
   C   8    3.3393     3.5497     1.6094     1.8228     2.9792     0.9941 
   C   9    1.0000     2.6457     1.8228     2.0000     1.0000     1.7321 
   C  10    3.1210     4.2473     0.9940     2.5962     3.3000     1.6094 
   C  11    2.6457     1.0000     2.9792     1.0000     1.0000     1.7321 
   H  12    3.9419     3.7576     2.2071     2.0432     3.4394     1.4478 
   H  13    3.6188     4.8521     1.4478     3.1774     3.9140     2.2072 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6117     0.0000 
   C   9    1.0001     2.5576     0.0000 
   C  10    1.6094     0.9940     2.5962     0.0000 
   C  11    2.0000     2.6956     1.7320     3.3000     0.0000 
   H  12    2.2100     0.6200     3.1226     1.4478     3.0069     0.0000 
   H  13    2.2072     1.4478     3.1774     0.6200     3.9140     1.7220 

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



ATOMIC CHARGES
  Cl   1   -0.0606672173
  Cl   2   -0.0409973460
   S   3   -0.0920747136
   N   4   -0.2167884672
   N   5   -0.2046109255
   C   6    0.0841621466
   C   7    0.0744412968
   C   8   -0.0284822014
   C   9    0.1481294205
   C  10   -0.0215910782
   C  11    0.2246500023
   H  12    0.0644215684
   H  13    0.0694075146


BOND ANGLES
   7    3   10  Car   S2  Car    108.101
   6    4   11  Car  Nar  Car    120.001
   9    5   11  Car  Nar  Car    120.001
   4    6    7  Nar  Car  Car    119.998
   4    6    8  Nar  Car  Car    132.152
   7    6    8  Car  Car  Car    107.850
   3    7    6   S2  Car  Car    107.850
   3    7    9   S2  Car  Car    132.152
   6    7    9  Car  Car  Car    119.998
   6    8   10  Car  Car  Car    108.101
   6    8   12  Car  Car   HC    125.949
  10    8   12  Car  Car   HC    125.950
   1    9    5   Cl  Car  Nar    120.001
   1    9    7   Cl  Car  Car    119.998
   5    9    7  Nar  Car  Car    120.001
   3   10    8   S2  Car  Car    108.098
   3   10   13   S2  Car   HC    125.951
   8   10   13  Car  Car   HC    125.951
   2   11    4   Cl  Car  Nar    119.999
   2   11    5   Cl  Car  Nar    120.001
   4   11    5  Nar  Car  Nar    120.001


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