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7-fluoro-4-methoxybenzo[d]thiazol-2-amine
7-fluoro-4-methoxybenzo[d]thiazol-2-amine
ID: BP-11948
Supplier:BroadPharm

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SMILES:c12c(sc(n1)N)c(ccc2OC)F	
FORMULA: C8H7FN2OS
MASS: 198.2174
EXACT MASS: 198.0263121
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      S   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    0.6008     0.9726     0.0000 
   C   4    0.9724     0.9724     0.6026     0.0000 
   S   5    0.9692     0.5995     0.9708     0.5992     0.0000 
   C   6    1.0378     0.5975     1.5380     1.5616     1.0937     0.0000 
   C   7    0.5975     1.0378     1.0933     1.5616     1.5350     1.2000 
   N   8    1.5542     1.5542     1.0715     0.6000     1.0696     2.1280 
   C   9    1.1985     1.0375     1.7907     1.9853     1.6187     0.6010 
   C  10    1.0375     1.1985     1.6192     1.9853     1.7889     1.0398 
   F  11    1.5825     1.0341     2.0040     1.8731     1.3001     0.5958 
   O  12    1.0378     1.5865     1.3001     1.8758     2.0040     1.8000 
   C  13    1.0561     1.6554     1.0048     1.6055     1.9065     2.0382 

              C   7      N   8      C   9      C  10      F  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    2.1280     0.0000 
   C   9    1.0398     2.5800     0.0000 
   C  10    0.6010     2.5800     0.6000     0.0000 
   F  11    1.7958     2.3661     1.0362     1.5839     0.0000 
   O  12    0.6000     2.3682     1.5878     1.0398     2.3958     0.0000 
   C  13    0.9509     1.9932     1.9865     1.5236     2.6150     0.5994 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.1252979982
   C   2    0.0801895405
   N   3   -0.2182937496
   C   4    0.2007195167
   S   5   -0.0460532169
   C   6    0.1477860167
   C   7    0.1568818896
   N   8   -0.0997618824
   C   9    0.0333688968
   C  10    0.0408019300
   F  11   -0.2035900147
   O  12   -0.4698891003
   C  13    0.2525421753


BOND ANGLES
   2    1    3  Car  Car  Nar    108.185
   2    1    7  Car  Car  Car    120.140
   3    1    7  Nar  Car  Car    131.676
   1    2    5  Car  Car   S2    107.803
   1    2    6  Car  Car  Car    120.140
   5    2    6   S2  Car  Car    132.057
   1    3    4  Car  Nar  Car    107.816
   3    4    8  Nar  Car  Npl    126.001
   3    4    5  Nar  Car   S2    107.762
   5    4    8   S2  Car  Npl    126.237
   2    5    4  Car   S2  Car    108.434
   2    6   11  Car  Car    F    120.140
   2    6    9  Car  Car  Car    119.917
   9    6   11  Car  Car    F    119.944
   1    7   10  Car  Car  Car    119.917
   1    7   12  Car  Car   O3    120.140
  10    7   12  Car  Car   O3    119.944
   6    9   10  Car  Car  Car    119.944
   7   10    9  Car  Car  Car    119.944
   7   12   13  Car   O3   C3    104.908


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