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5-amino-6-chloro-2-methylpyrimidine-4-thiol
5-amino-6-chloro-2-methylpyrimidine-4-thiol
ID: BP-12028
Supplier:BroadPharm

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SMILES:c1(c(nc(nc1Cl)C)S)N	
FORMULA: C5H6ClN3S
MASS: 175.6392
EXACT MASS: 174.9970959
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    1.0378     0.5975     0.0000 
   N   4    1.0375     1.1985     1.0398     0.0000 
   C   5    0.5975     1.0378     1.2000     0.6010     0.0000 
   C   6    1.1985     1.0375     0.6010     0.6000     1.0398     0.0000 
   S   7    1.0398     0.6010     1.0375     1.7995     1.5863     1.5869 
   N   8    0.6010     1.0398     1.5863     1.5869     1.0375     1.7995 
  Cl   9    1.0378     1.5865     1.8000     1.0398     0.6000     1.5878 
   C  10    1.7995     1.5869     1.0416     1.0398     1.5890     0.6010 

              S   7      N   8     Cl   9      C  10
              --------------------------------------------
   S   7    0.0000 
   N   8    1.2000     0.0000 
  Cl   9    2.0776     1.1985     0.0000 
   C  10    2.0791     2.4006     2.0796     0.0000 



ATOMIC CHARGES
   C   1    0.1415912136
   C   2    0.1370629760
   N   3   -0.2222348356
   N   4   -0.2178454664
   C   5    0.1582604057
   C   6    0.1411879755
   S   7   -0.0285350235
   N   8   -0.1234160496
  Cl   9   -0.0597769172
   C  10    0.0737057217


BOND ANGLES
   2    1    5  Car  Car  Car    120.140
   2    1    8  Car  Car  Npl    119.944
   5    1    8  Car  Car  Npl    119.917
   1    2    3  Car  Car  Nar    120.140
   1    2    7  Car  Car   S3    119.944
   3    2    7  Nar  Car   S3    119.917
   2    3    6  Car  Nar  Car    119.917
   5    4    6  Car  Nar  Car    119.944
   1    5    4  Car  Car  Nar    119.917
   4    5    9  Nar  Car   Cl    119.944
   1    5    9  Car  Car   Cl    120.140
   4    6   10  Nar  Car   C3    119.944
   3    6    4  Nar  Car  Nar    119.944
   3    6   10  Nar  Car   C3    120.113


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