Sign In Join Free

Products Information

5-methyl-2-(methylthio)oxazolo[5,4-b]pyridine
5-methyl-2-(methylthio)oxazolo[5,4-b]pyridine
ID: BP-11961
Supplier:BroadPharm

Get a quote


SMILES:o1c(nc2c1nc(cc2)C)SC	
FORMULA: C8H8N2OS
MASS: 180.2269
EXACT MASS: 180.0357339
INTERATOMIC DISTANCES

              O   1      C   2      C   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.5992     0.0000 
   C   3    0.5995     0.9724     0.0000 
   N   4    0.9708     0.6026     0.9726     0.0000 
   N   5    1.0937     1.5616     0.5975     1.5380     0.0000 
   C   6    0.9692     0.9724     0.6000     0.6008     1.0378     0.0000 
   S   7    1.0696     0.6000     1.5542     1.0715     2.1280     1.5542 
   C   8    1.5350     1.5616     1.0378     1.0933     1.2000     0.5975 
   C   9    1.6187     1.9853     1.0375     1.7907     0.6010     1.1985 
   C  10    1.7889     1.9853     1.1985     1.6192     1.0398     1.0375 
   C  11    1.2546     1.0378     1.8378     1.6067     2.3432     1.9994 
   C  12    2.1280     2.5498     1.5821     2.3852     1.0375     1.7939 

              S   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   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 
   C  11    0.5975     2.5943     2.8707     2.9767     0.0000 
   C  12    3.1363     1.5831     0.5954     1.0341     3.3801     0.0000 




ATOMIC CHARGES
   O   1   -0.4120278256
   C   2    0.2601037155
   C   3    0.2495065336
   N   4   -0.2009880273
   N   5   -0.2143948203
   C   6    0.1383401792
   S   7   -0.0558589266
   C   8    0.0252004365
   C   9    0.0625698858
   C  10    0.0165075982
   C  11    0.0788416570
   C  12    0.0521995941


BOND ANGLES
   2    1    3  Car   O2  Car    108.434
   1    2    4   O2  Car  Nar    107.762
   1    2    7   O2  Car   S3    126.237
   4    2    7  Nar  Car   S3    126.001
   1    3    5   O2  Car  Nar    132.057
   1    3    6   O2  Car  Car    107.803
   5    3    6  Nar  Car  Car    120.140
   2    4    6  Car  Nar  Car    107.816
   3    5    9  Car  Nar  Car    119.917
   3    6    8  Car  Car  Car    120.140
   3    6    4  Car  Car  Nar    108.185
   4    6    8  Nar  Car  Car    131.676
   2    7   11  Car   S3   C3    120.140
   6    8   10  Car  Car  Car    119.917
   5    9   12  Nar  Car   C3    120.266
   5    9   10  Nar  Car  Car    119.944
  10    9   12  Car  Car   C3    119.790
   8   10    9  Car  Car  Car    119.944


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