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2,2'-Thiobisethylamine
2,2'-Thiobisethylamine ID: API-42674
CAS:871-76-1
Supplier:APIchem

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SMILES:S(CCN)CCN	ChemMol.com
FORMULA: C4H12N2S
MASS: 120.2165
EXACT MASS: 120.0721194
INTERATOMIC DISTANCES

              S   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    2.6458     0.0000 
   N   3    2.6458     5.1962     0.0000 
   C   4    1.0000     1.7321     3.4641     0.0000 
   C   5    1.0000     3.4641     1.7321     1.7320     0.0000 
   C   6    1.7320     1.0001     4.3589     1.0000     2.6457     0.0000 
   C   7    1.7321     4.3590     1.0000     2.6458     1.0001     3.4641 
   H   8    1.5967     1.4156     3.8917     0.6199     2.1828     1.0812 
   H   9    1.0812     2.1829     3.1022     0.6199     1.4155     1.5967 
   H  10    1.0812     3.1022     2.1829     1.4155     0.6199     2.4059 
   H  11    1.5968     3.8918     1.4155     2.1829     0.6200     3.1512 
   H  12    1.4156     1.5968     4.0507     1.0813     2.4059     0.6200 
   H  13    2.1829     1.0813     4.8282     1.5968     3.1512     0.6201 
   H  14    2.1829     4.8282     1.0813     3.1512     1.5968     3.8917 
   H  15    1.4156     4.0507     1.5968     2.4059     1.0813     3.1021 
   H  16    3.1408     5.7415     0.6200     4.0130     2.2901     4.8707 
   H  17    2.8292     5.2331     0.6200     3.5191     1.8397     4.4726 
   H  18    3.1408     0.6200     5.7415     2.2901     4.0130     1.4158 
   H  19    2.8292     0.6200     5.2331     1.8397     3.5191     1.4158 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    3.1512     0.0000 
   H   9    2.4060     0.7970     0.0000 
   H  10    1.5968     1.7320     0.9350     0.0000 
   H  11    1.0812     2.5291     1.7321     0.7971     0.0000 
   H  12    3.1022     1.4515     1.6888     2.3121     2.9753     0.0000 
   H  13    3.8918     1.6889     2.2064     2.9753     3.6918     0.7971 
   H  14    0.6200     3.6917     2.9753     2.2064     1.6888     3.4641 
   H  15    0.6201     2.9752     2.3121     1.6888     1.4515     2.6670 
   H  16    1.4157     4.4690     3.6870     2.7806     2.0284     4.5177 
   H  17    1.4158     3.8653     3.0690     2.1355     1.3414     4.2428 
   H  18    4.8708     2.0285     2.7806     3.6870     4.4691     1.9203 
   H  19    4.4727     1.3415     2.1355     3.0690     3.8654     2.0355 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    4.2612     0.0000 
   H  15    3.4641     0.7971     0.0000 
   H  16    5.3074     1.2046     1.9203     0.0000 
   H  17    4.9905     1.6621     2.0355     1.0739     0.0000 
   H  18    1.2046     5.3074     4.5177     6.2700     5.8080     0.0000 
   H  19    1.6621     4.9905     4.2428     5.8080     5.1962     1.0739 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   S   1   -0.1582534589
   N   2   -0.3292057822
   N   3   -0.3292057822
   C   4    0.0060565172
   C   5    0.0060565172
   C   6    0.0021128586
   C   7    0.0021128586
   H   8    0.0388624329
   H   9    0.0388624329
   H  10    0.0388624329
   H  11    0.0388624329
   H  12    0.0429781291
   H  13    0.0429781291
   H  14    0.0429781291
   H  15    0.0429781291
   H  16    0.1182410059
   H  17    0.1182410059
   H  18    0.1182410059
   H  19    0.1182410059


BOND ANGLES
   4    1    5   C3   S3   C3    119.999
   6    2   18   C3   N3   HC    120.000
   6    2   19   C3   N3   HC    119.998
  18    2   19   HC   N3   HC    120.002
   7    3   16   C3   N3   HC    119.998
   7    3   17   C3   N3   HC    120.001
  16    3   17   HC   N3   HC    120.002
   1    4    6   S3   C3   C3    119.999
   1    4    8   S3   C3   HC    160.002
   1    4    9   S3   C3   HC     80.000
   6    4    8   C3   C3   HC     80.000
   6    4    9   C3   C3   HC    160.002
   8    4    9   HC   C3   HC     80.002
   1    5    7   S3   C3   C3    120.001
   1    5   10   S3   C3   HC     80.000
   1    5   11   S3   C3   HC    160.009
   7    5   10   C3   C3   HC    159.999
   7    5   11   C3   C3   HC     79.990
  10    5   11   HC   C3   HC     80.009
   2    6    4   N3   C3   C3    120.001
   2    6   12   N3   C3   HC    159.993
   2    6   13   N3   C3   HC     79.996
   4    6   12   C3   C3   HC     80.006
   4    6   13   C3   C3   HC    160.003
  12    6   13   HC   C3   HC     79.997
   3    7    5   N3   C3   C3    120.001
   3    7   14   N3   C3   HC     80.006
   3    7   15   N3   C3   HC    160.003
   5    7   14   C3   C3   HC    159.993
   5    7   15   C3   C3   HC     79.996
  14    7   15   HC   C3   HC     79.997


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