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2,4-dichlorothieno[3,2-d]pyrimidine
2,4-dichlorothieno[3,2-d]pyrimidine
ID: BP-11608
CAS:16234-14-3
Supplier:BroadPharm

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SMILES:n1c(c2c(nc1Cl)ccs2)Cl	
FORMULA: C6H2Cl2N2S
MASS: 205.0645
EXACT MASS: 203.9315744
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.0375     0.0000 
   C   3    0.6010     0.5975     0.0000 
   C   4    0.6000     1.1985     1.0398     0.0000 
   N   5    1.0398     1.0378     1.2000     0.6010     0.0000 
   C   6    1.1985     0.6000     1.0378     1.0375     0.5975     0.0000 
   S   7    1.6192     0.6008     1.0933     1.7907     1.5380     0.9726 
   C   8    1.7907     0.9726     1.5380     1.6192     1.0933     0.6008 
   C   9    1.9853     0.9724     1.5616     1.9853     1.5616     0.9724 
  Cl  10    1.0398     1.0378     0.6000     1.5878     1.8000     1.5865 
  Cl  11    1.0378     1.7960     1.5863     0.5975     1.0375     1.5829 

              S   7      C   8      C   9     Cl  10     Cl  11
              -------------------------------------------------------
   S   7    0.0000 
   C   8    0.9750     0.0000 
   C   9    0.6026     0.6026     0.0000 
  Cl  10    1.3001     2.0076     1.8758     0.0000 
  Cl  11    2.3871     2.1280     2.5508     2.0776     0.0000 



ATOMIC CHARGES
   N   1   -0.2046102408
   C   2    0.0756529415
   C   3    0.1481674608
   C   4    0.2246677814
   N   5   -0.2161519154
   C   6    0.0925669655
   S   7   -0.0824830334
   C   8    0.0267402275
   C   9    0.0371136648
  Cl  10   -0.0606667171
  Cl  11   -0.0409971345


BOND ANGLES
   3    1    4  Car  Nar  Car    119.944
   3    2    6  Car  Car  Car    120.140
   3    2    7  Car  Car   S2    131.676
   6    2    7  Car  Car   S2    108.185
   1    3    2  Nar  Car  Car    119.917
   2    3   10  Car  Car   Cl    120.140
   1    3   10  Nar  Car   Cl    119.944
   1    4    5  Nar  Car  Nar    119.944
   1    4   11  Nar  Car   Cl    120.140
   5    4   11  Nar  Car   Cl    119.917
   4    5    6  Car  Nar  Car    119.917
   2    6    8  Car  Car  Car    108.185
   2    6    5  Car  Car  Nar    120.140
   5    6    8  Nar  Car  Car    131.676
   2    7    9  Car   S2  Car    107.816
   6    8    9  Car  Car  Car    107.816
   7    9    8   S2  Car  Car    107.998


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