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[4-(Methylsulfonyl)phenyl]hydrazine hydrochloride
[4-(Methylsulfonyl)phenyl]hydrazine hydrochloride ID: API-42736
CAS:877-66-7
Supplier:APIchem

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SMILES:S(=O)(=O)(c1ccc(NN)cc1)C	ChemMol.com
FORMULA: C7H10N2O2S
MASS: 186.2315
EXACT MASS: 186.0462986
INTERATOMIC DISTANCES

              S   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    1.0000     2.0000     0.0000 
   N   4    4.0000     4.1231     4.1231     0.0000 
   N   5    4.5826     4.8716     4.5020     1.0001     0.0000 
   C   6    1.0000     1.4142     1.4142     3.0000     3.6056     0.0000 
   C   7    1.7321     2.3942     1.5060     2.6458     3.0000     1.0001 
   C   8    1.7320     1.5060     2.3942     2.6457     3.4641     1.0000 
   C   9    3.0000     3.1623     3.1623     1.0000     1.7321     2.0000 
   C  10    2.6458     3.1197     2.5036     1.7321     2.0000     1.7321 
   C  11    2.6457     2.5036     3.1196     1.7320     2.6458     1.7320 
   C  12    1.0000     1.4142     1.4142     5.0000     5.5678     2.0000 
   H  13    1.8397     2.6815     1.2564     3.1408     3.3533     1.4158 
   H  14    1.8396     1.2564     2.6814     3.1407     4.0130     1.4157 
   H  15    3.1408     3.6974     2.8388     1.8397     1.7732     2.2901 
   H  16    3.1407     2.8387     3.6973     1.8396     2.8292     2.2900 
   H  17    1.1766     1.0698     1.9038     5.0383     5.6972     2.0939 
   H  18    1.6200     1.9038     1.9038     5.6200     6.1810     2.6200 
   H  19    1.1766     1.9038     1.0698     5.0383     5.5055     2.0939 
   H  20    4.3433     4.3348     4.5758     0.6200     1.4158     3.3533 
   H  21    5.1927     5.4495     5.1218     1.4158     0.6200     4.2101 
   H  22    4.4187     4.8302     4.2093     1.4158     0.6200     3.4849 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.7321     1.7320     0.0000 
   C  10    1.0000     2.0000     1.0001     0.0000 
   C  11    2.0000     1.0000     1.0000     1.7321     0.0000 
   C  12    2.6458     2.6457     4.0000     3.6056     3.6055     0.0000 
   H  13    0.6200     2.2901     2.2901     1.4158     2.6200     2.6009 
   H  14    2.2901     0.6200     2.2900     2.6200     1.4158     2.6008 
   H  15    1.4158     2.6200     1.4158     0.6200     2.2901     4.0601 
   H  16    2.6200     1.4158     1.4157     2.2901     0.6200     4.0601 
   H  17    2.9083     2.5121     4.0478     3.8024     3.5086     0.6200 
   H  18    3.2380     3.2380     4.6200     4.2101     4.2100     0.6200 
   H  19    2.5121     2.9083     4.0478     3.5086     3.8024     0.6200 
   H  20    3.1408     2.8292     1.4158     2.2901     1.8397     5.3371 
   H  21    3.6200     4.0131     2.2901     2.6200     3.1408     6.1810 
   H  22    2.7431     3.5192     1.8397     1.7732     2.8292     5.3763 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    1.6200     3.2400     0.0000 
   H  16    3.2400     1.6200     2.8059     0.0000 
   H  17    2.9814     2.3257     4.3138     3.8896     0.0000 
   H  18    3.1408     3.1407     4.6469     4.6468     0.8768     0.0000 
   H  19    2.3258     2.9813     3.8896     4.3137     1.2400     0.8768 
   H  20    3.6739     3.2380     2.4522     1.7320     5.3107     5.9543 
   H  21    3.9665     4.5380     2.3716     3.2380     6.2978     6.7954 
   H  22    3.0000     4.1077     1.3800     3.1269     5.5703     5.9770 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    5.4346     0.0000 
   H  21    6.1249     1.6200     0.0000 
   H  22    5.2487     1.9436     1.0739     0.0000 



ATOMIC CHARGES
   S   1   -0.0058747991
   O   2   -0.1696199145
   O   3   -0.1696199145
   N   4   -0.2829588578
   N   5   -0.2565148797
   C   6    0.0879816839
   C   7   -0.0351131648
   C   8   -0.0351131648
   C   9    0.0410899860
   C  10   -0.0378550691
   C  11   -0.0378550691
   C  12    0.0595825307
   H  13    0.0637042432
   H  14    0.0637042432
   H  15    0.0636900518
   H  16    0.0636900518
   H  17    0.0467807332
   H  18    0.0467807332
   H  19    0.0467807332
   H  20    0.1659708780
   H  21    0.1403844825
   H  22    0.1403844825


BOND ANGLES
   2    1    3   O2  So2   O2    179.974
   2    1    6   O2  So2  Car     90.000
   2    1   12   O2  So2   C3     90.000
   3    1    6   O2  So2  Car     90.000
   3    1   12   O2  So2   C3     90.000
   6    1   12  Car  So2   C3    179.974
   5    4    9   N3  Npl  Car    119.998
   5    4   20   N3  Npl   HC    120.000
   9    4   20  Car  Npl   HC    120.002
   4    5   21  Npl   N3   HC    119.998
   4    5   22  Npl   N3   HC    120.000
  21    5   22   HC   N3   HC    120.002
   1    6    7  So2  Car  Car    119.998
   1    6    8  So2  Car  Car    120.001
   7    6    8  Car  Car  Car    120.001
   6    7   10  Car  Car  Car    119.998
   6    7   13  Car  Car   HC    120.000
  10    7   13  Car  Car   HC    120.002
   6    8   11  Car  Car  Car    120.001
   6    8   14  Car  Car   HC    119.998
  11    8   14  Car  Car   HC    120.002
   4    9   10  Npl  Car  Car    119.998
   4    9   11  Npl  Car  Car    120.001
  10    9   11  Car  Car  Car    120.001
   7   10    9  Car  Car  Car    119.998
   7   10   15  Car  Car   HC    120.002
   9   10   15  Car  Car   HC    120.000
   8   11    9  Car  Car  Car    120.001
   8   11   16  Car  Car   HC    120.002
   9   11   16  Car  Car   HC    119.998
   1   12   17  So2   C3   HC     90.000
   1   12   18  So2   C3   HC    179.974
   1   12   19  So2   C3   HC     90.000
  17   12   18   HC   C3   HC     90.000
  17   12   19   HC   C3   HC    179.974
  18   12   19   HC   C3   HC     90.000


TORSION ANGLES
   2    1    6    7    179.974
   2    1    6    8      0.026
   3    1    6    7      0.026
   3    1    6    8    179.974
  12    1    6    7    180.000
  12    1    6    8    180.000
   2    1   12   17      0.026
   2    1   12   18    180.000
   2    1   12   19    179.974
   3    1   12   17    179.974
   3    1   12   18    180.000
   3    1   12   19      0.026
   6    1   12   17    180.000
   6    1   12   18    180.000
   6    1   12   19    180.000
   9    4    5   21    179.974
   9    4    5   22      0.026
  20    4    5   21      0.026
  20    4    5   22    179.974
   5    4    9   10      0.026
   5    4    9   11    179.974
  20    4    9   10    179.974
  20    4    9   11      0.026
   1    6    7   10    179.974
   1    6    7   13      0.026
   8    6    7   10      0.026
   8    6    7   13    179.974
   1    6    8   11    179.974
   1    6    8   14      0.026
   7    6    8   11      0.026
   7    6    8   14    179.974
   6    7   10    9      0.026
   6    7   10   15    179.974
  13    7   10    9    179.974
  13    7   10   15      0.026
   6    8   11    9      0.026
   6    8   11   16    179.974
  14    8   11    9    179.974
  14    8   11   16      0.026
   4    9   10    7    179.974
   4    9   10   15      0.026
  11    9   10    7      0.026
  11    9   10   15    179.974
   4    9   11    8    179.974
   4    9   11   16      0.026
  10    9   11    8      0.026
  10    9   11   16    179.974