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6-METHYL-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
6-METHYL-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
ID: BP-11130
CAS:75001-31-9
Supplier:BroadPharm

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SMILES:c12n(c(c(n1)C)C=O)ccs2	
FORMULA: C7H6N2OS
MASS: 166.2003
EXACT MASS: 166.0200838
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      S   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8375     0.0000 
   N   3    0.8341     1.3553     0.0000 
   C   4    1.3452     0.8302     1.3500     0.0000 
   C   5    1.3441     1.3480     0.8326     0.8326     0.0000 
   S   6    0.8380     1.3577     1.5875     2.0839     2.1820     0.0000 
   C   7    1.3543     0.8367     2.0893     1.5875     2.1846     1.3583 
   C   8    1.3545     1.3533     2.1886     2.1835     2.5667     0.8418 
   C   9    2.1380     1.4529     2.1605     0.8277     1.5004     2.8040 
   O  10    2.7686     2.2021     2.5703     1.4319     1.7673     3.5130 
   C  11    2.1443     2.1467     1.4759     1.4759     0.8250     2.9775 

              C   7      C   8      C   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8351     0.0000 
   C   9    1.9664     2.7209     0.0000 
   O  10    2.7872     3.5183     0.8277     0.0000 
   C  11    2.9794     3.3917     1.8400     1.7140     0.0000 



ATOMIC CHARGES
   C   1    0.1792389344
   N   2   -0.2805705215
   N   3   -0.2248560092
   C   4    0.1217674343
   C   5    0.0807927960
   S   6   -0.0479745943
   C   7    0.0890675019
   C   8    0.0573495092
   C   9    0.2528206189
   O  10   -0.2814749445
   C  11    0.0538392748


BOND ANGLES
   2    1    3  Nar  Car  Nar    108.344
   2    1    6  Nar  Car   S2    108.255
   3    1    6  Nar  Car   S2    143.401
   1    2    4  Car  Nar  Car    107.525
   1    2    7  Car  Nar  Car    107.982
   4    2    7  Car  Nar  Car    144.493
   1    3    5  Car  Nar  Car    107.494
   2    4    9  Nar  Car   C2    122.401
   2    4    5  Nar  Car  Car    108.313
   5    4    9  Car  Car   C2    129.287
   3    5   11  Nar  Car   C3    125.838
   3    5    4  Nar  Car  Car    108.325
   4    5   11  Car  Car   C3    125.838
   1    6    8  Car   S2  Car    107.483
   2    7    8  Nar  Car  Car    108.089
   6    8    7   S2  Car  Car    108.190
   4    9   10  Car   C2   O2    119.751


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