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1,1',1'',1'''-{disulfanediylbis[(thioxomethylene)nitrilo]}tetraethane

1,1',1'',1'''-{disulfanediylbis[(thioxomethylene)nitrilo]}tetraethane ID: BBC/257
CAS:97-77-8
Supplier:Aronis

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SMILES:C(=S)(SSC(=S)N(CC)CC)N(CC)CC	
FORMULA: C10H20N2S4
MASS: 296.5392
EXACT MASS: 296.0509327
INTERATOMIC DISTANCES

              C   1      C   2      S   3      S   4      S   5      S   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    3.5253     0.0000 
   S   3    1.3272     2.3125     0.0000 
   S   4    2.3125     1.3272     1.3380     0.0000 
   S   5    1.3333     3.9965     2.3034     2.6693     0.0000 
   S   6    3.9986     1.3375     2.6714     2.3071     4.8062     0.0000 
   N   7    1.3272     4.6125     2.3000     3.5253     2.3034     4.8025 
   N   8    4.6125     1.3272     3.5253     2.3000     4.8013     2.3071 
   C   9    5.8005     2.3000     4.6125     3.5130     6.0983     2.6606 
   C  10    4.8013     2.3034     3.9965     2.6585     4.6125     3.5261 
   C  11    2.3000     5.8005     3.5130     4.6125     2.6585     6.0997 
   C  12    2.3071     4.8025     2.6606     3.9986     3.5261     4.6125 
   C  13    6.0997     3.5184     5.3258     3.9878     5.8009     4.6141 
   C  14    3.5130     6.9125     4.6000     5.8005     3.9857     7.0407 
   C  15    6.9125     3.5130     5.8005     4.6000     7.0399     3.9878 
   C  16    3.5184     6.0997     3.9878     5.3258     4.6105     5.8005 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    5.8005     0.0000 
   C   9    6.9125     1.3272     0.0000 
   C  10    6.0983     1.3333     2.3034     0.0000 
   C  11    1.3272     6.9125     8.0897     7.0399     0.0000 
   C  12    1.3375     6.0997     7.0407     6.6571     2.3071     0.0000 
   C  13    7.4075     2.3071     2.6625     1.3293     8.3069     7.9864 
   C  14    2.3000     8.0897     9.2125     8.3058     1.3272     2.6606 
   C  15    8.0897     2.3000     1.3272     2.6585     9.2125     8.3069 
   C  16    2.3071     7.4075     8.3069     7.9843     2.6625     1.3272 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    9.5895     0.0000 
   C  15    2.3071    10.3837     0.0000 
   C  16    9.3136     2.3071     9.5895     0.0000 



ATOMIC CHARGES
   C   1    0.1211798300
   C   2    0.1211798300
   S   3   -0.0270897213
   S   4   -0.0270897213
   S   5   -0.0270897213
   S   6   -0.0270897213
   N   7   -0.2969676398
   N   8   -0.2969676398
   C   9    0.0917818084
   C  10    0.0917818084
   C  11    0.0917818084
   C  12    0.0917818084
   C  13    0.0232018178
   C  14    0.0232018178
   C  15    0.0232018178
   C  16    0.0232018178


BOND ANGLES
   3    1    5   S3   C2   S2    119.946
   3    1    7   S3   C2  Nam    120.109
   5    1    7   S2   C2  Nam    119.946
   4    2    6   S3   C2   S2    119.946
   4    2    8   S3   C2  Nam    120.109
   6    2    8   S2   C2  Nam    119.946
   1    3    4   C2   S3   S3    120.376
   2    4    3   C2   S3   S3    120.376
   1    7   11   C2  Nam   C3    120.109
   1    7   12   C2  Nam   C3    119.946
  11    7   12   C3  Nam   C3    119.946
   2    8    9   C2  Nam   C3    120.109
   2    8   10   C2  Nam   C3    119.946
   9    8   10   C3  Nam   C3    119.946
   8    9   15  Nam   C3   C3    120.109
   8   10   13  Nam   C3   C3    120.103
   7   11   14  Nam   C3   C3    120.109
   7   12   16  Nam   C3   C3    119.946


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