Sign In Join Free

Products Information

Potassium butylxanthate
Potassium butylxanthate ID: API-42672
CAS:871-58-9
Supplier:APIchem

Get a quote


SMILES:[K+].[S-]C(=S)OCCCC	ChemMol.com
FORMULA: C5H9KOS2
MASS: 188.3527
EXACT MASS: 187.9731886
INTERATOMIC DISTANCES

              K   1      S   2      S   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   K   1    0.0000 
   S   2    1.0000     0.0000 
   S   3    2.0000     1.7320     0.0000 
   O   4    2.6458     1.7321     1.7321     0.0000 
   C   5    4.3589     3.4641     3.0000     1.7320     0.0000 
   C   6    5.1962     4.3590     3.6056     2.6458     1.0001     0.0000 
   C   7    3.4641     2.6458     2.0000     1.0000     1.0000     1.7321 
   C   8    6.0828     5.1962     4.5826     3.4641     1.7321     1.0000 
   C   9    1.7320     1.0000     1.0000     1.0001     2.6458     3.4642 
   H  10    4.8282     3.8918     3.5890     2.1829     0.6201     1.0813 
   H  11    4.0507     3.1022     2.9562     1.4156     0.6200     1.5968 
   H  12    4.8210     4.0507     3.1102     2.4059     1.0812     0.6200 
   H  13    5.6148     4.8282     3.8982     3.1512     1.5968     0.6199 
   H  14    3.1022     2.4060     1.4333     1.0812     1.5967     2.1829 
   H  15    3.8917     3.1512     2.1944     1.5967     1.0812     1.4156 
   H  16    6.3723     5.5323     4.7391     3.8121     2.1115     1.1766 
   H  17    6.6486     5.7415     5.1928     4.0130     2.2901     1.6199 
   H  18    5.8449     4.9156     4.5068     3.1995     1.5201     1.1766 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6458     0.0000 
   C   9    1.7321     4.3590     0.0000 
   H  10    1.5968     1.4156     3.1513     0.0000 
   H  11    1.0813     2.1829     2.4060     0.7971     0.0000 
   H  12    1.4155     1.5968     3.1022     1.4515     1.6888     0.0000 
   H  13    2.1829     1.0812     3.8918     1.6888     2.2064     0.7971 
   H  14    0.6199     3.1512     1.4156     2.2064     1.6888     1.7320 
   H  15    0.6199     2.4060     2.1829     1.6889     1.4515     0.9350 
   H  16    2.9083     0.6200     4.6403     1.9300     2.6421     1.6344 
   H  17    3.2380     0.6200     4.9340     1.8777     2.6726     2.2128 
   H  18    2.5121     0.6200     4.1518     1.0254     1.8217     1.7880 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.5291     0.0000 
   H  15    1.7321     0.7970     0.0000 
   H  16    0.8924     3.3355     2.5475     0.0000 
   H  17    1.6309     3.7599     3.0231     0.8768     0.0000 
   H  18    1.5200     3.0828     2.4199     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   K   1    0.0000000000
   S   2   -1.0000000000
   S   3    0.0000000000
   O   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   H  10    0.0000000000
   H  11    0.0000000000
   H  12    0.0000000000
   H  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000


BOND ANGLES
   7    4    9   C3   O3   C2    120.001
   6    5    7   C3   C3   C3    120.001
   6    5   10   C3   C3   HC     79.996
   6    5   11   C3   C3   HC    159.993
   7    5   10   C3   C3   HC    160.003
   7    5   11   C3   C3   HC     80.006
  10    5   11   HC   C3   HC     79.997
   5    6    8   C3   C3   C3    120.001
   5    6   12   C3   C3   HC     79.990
   5    6   13   C3   C3   HC    159.999
   8    6   12   C3   C3   HC    160.009
   8    6   13   C3   C3   HC     80.000
  12    6   13   HC   C3   HC     80.009
   4    7    5   O3   C3   C3    119.999
   4    7   14   O3   C3   HC     80.000
   4    7   15   O3   C3   HC    160.002
   5    7   14   C3   C3   HC    160.002
   5    7   15   C3   C3   HC     80.000
  14    7   15   HC   C3   HC     80.002
   6    8   16   C3   C3   HC     90.001
   6    8   17   C3   C3   HC    179.974
   6    8   18   C3   C3   HC     89.999
  16    8   17   HC   C3   HC     90.000
  16    8   18   HC   C3   HC    179.974
  17    8   18   HC   C3   HC     90.000
   2    9    3   S3   C2   S2    120.001
   2    9    4   S3   C2   O3    120.001
   3    9    4   S2   C2   O3    119.998


TORSION ANGLES
   9    4    7    5    179.974
   9    4    7   14      0.026
   9    4    7   15      0.026
   7    4    9    2    179.974
   7    4    9    3      0.026
   7    5    6    8    179.974
   7    5    6   12      0.026
   7    5    6   13      0.026
  10    5    6    8      0.026
  10    5    6   12    179.974
  10    5    6   13    179.974
  11    5    6    8      0.026
  11    5    6   12    179.974
  11    5    6   13    179.974
   6    5    7    4    179.974
   6    5    7   14      0.026
   6    5    7   15      0.026
  10    5    7    4      0.026
  10    5    7   14    179.974
  10    5    7   15    179.974
  11    5    7    4      0.026
  11    5    7   14    179.974
  11    5    7   15    179.974
   5    6    8   16    179.974
   5    6    8   17      0.026
   5    6    8   18      0.026
  12    6    8   16      0.026
  12    6    8   17    179.974
  12    6    8   18    179.974
  13    6    8   16      0.026
  13    6    8   17    179.974
  13    6    8   18    179.974