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oxazolo[5,4-b]pyridine-2-thiol
oxazolo[5,4-b]pyridine-2-thiol
ID: BP-11921
CAS:169205-99-6
Supplier:BroadPharm

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SMILES:o1c(nc2c1nccc2)S	
FORMULA: C6H4N2OS
MASS: 152.1738
EXACT MASS: 152.0044338
INTERATOMIC DISTANCES

              O   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.6026     0.0000 
   N   3    0.9750     0.6026     0.0000 
   C   4    0.6008     0.9724     0.9726     0.0000 
   C   5    0.9726     0.9724     0.6008     0.6000     0.0000 
   N   6    1.0933     1.5616     1.5380     0.5975     1.0378     0.0000 
   S   7    1.0715     0.6000     1.0715     1.5542     1.5542     2.1280 
   C   8    1.5380     1.5616     1.0933     1.0378     0.5975     1.2000 
   C   9    1.6192     1.9853     1.7907     1.0375     1.1985     0.6010 
   C  10    1.7907     1.9853     1.6192     1.1985     1.0375     1.0398 

              S   7      C   8      C   9      C  10
              --------------------------------------------
   S   7    0.0000 
   C   8    2.1280     0.0000 
   C   9    2.5800     1.0398     0.0000 
   C  10    2.5800     0.6010     0.6000     0.0000 



ATOMIC CHARGES
   O   1   -0.4113482385
   C   2    0.2704644079
   N   3   -0.2003116115
   C   4    0.2498727451
   C   5    0.1383861700
   N   6   -0.2084868884
   S   7    0.0112256819
   C   8    0.0255858808
   C   9    0.1021700794
   C  10    0.0224417734


BOND ANGLES
   2    1    4  Car   O2  Car    107.816
   1    2    3   O2  Car  Nar    107.998
   1    2    7   O2  Car   S3    126.001
   3    2    7  Nar  Car   S3    126.001
   2    3    5  Car  Nar  Car    107.816
   1    4    5   O2  Car  Car    108.185
   1    4    6   O2  Car  Nar    131.676
   5    4    6  Car  Car  Nar    120.140
   4    5    8  Car  Car  Car    120.140
   3    5    4  Nar  Car  Car    108.185
   3    5    8  Nar  Car  Car    131.676
   4    6    9  Car  Nar  Car    119.917
   5    8   10  Car  Car  Car    119.917
   6    9   10  Nar  Car  Car    119.944
   8   10    9  Car  Car  Car    119.944


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