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thiophene-3,4-diamine dihydrochloride
thiophene-3,4-diamine dihydrochloride ID: AN-36662
CAS:78637-85-1
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.Cl.s1cc(N)c(N)c1	12707342
FORMULA: C4H8Cl2N2S
MASS: 187.0907
EXACT MASS: 185.9785246
INTERATOMIC DISTANCES

             Cl   1     Cl   2      S   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    5.0726     0.0000 
   S   3    5.7301     3.3167     0.0000 
   N   4    3.8071     4.3454     2.5876     0.0000 
   N   5    5.9553     5.6148     2.5876     2.1755     0.0000 
   C   6    4.5930     3.9539     1.6180     1.0000     1.7820     0.0000 
   C   7    5.5440     4.6309     1.6180     1.7819     1.0000     1.0000 
   C   8    6.1636     4.3106     0.9999     2.5875     1.7820     1.6180 
   C   9    4.7321     3.0296     1.0000     1.7820     2.5876     0.9999 
   H  10    4.3599     2.5004     1.4537     1.9763     3.1609     1.4537 
   H  11    6.7805     4.7444     1.4537     3.1609     1.9763     2.2160 
   H  12    3.2207     4.0637     2.8491     0.6201     2.7929     1.4158 
   H  13    3.9887     4.9654     3.0317     0.6200     2.0051     1.4158 
   H  14    6.5753     6.0269     2.8490     2.7929     0.6201     2.3267 
   H  15    5.6587     5.8623     3.0316     2.0050     0.6200     1.9172 
   H  16    5.9456     1.0000     3.0296     4.6455     5.5411     4.0533 
   H  17    1.0000     4.2558     4.7321     2.9279     5.1014     3.6431 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.6180     1.6180     0.0000 
   H  10    2.2159     2.2159     0.6200     0.0000 
   H  11    1.4537     0.6200     2.2160     2.7973     0.0000 
   H  12    2.3266     3.0316     1.9172     1.9115     3.6317     0.0000 
   H  13    1.9172     2.8491     2.3266     2.5803     3.3665     1.0738 
   H  14    1.4158     1.9172     3.0317     3.6317     1.9115     3.4088 
   H  15    1.4158     2.3266     2.8490     3.3664     2.5802     2.6172 
   H  16    4.5413     4.0176     3.0588     2.6756     4.3462     4.4870 
   H  17    4.6146     5.1895     3.7351     3.3610     5.8083     2.3179 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    2.6173     0.0000 
   H  15    1.6713     1.0739     0.0000 
   H  16    5.2546     5.8675     5.8838     0.0000 
   H  17    3.2010     5.7200     4.8634     5.0726     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
  Cl   2   -0.1453996612
   S   3   -0.1013240803
   N   4   -0.3561349757
   N   5   -0.3561349757
   C   6    0.0526015595
   C   7    0.0526015595
   C   8   -0.0018163773
   C   9   -0.0018163773
   H  10    0.0712340749
   H  11    0.0712340749
   H  12    0.1423888794
   H  13    0.1423888794
   H  14    0.1423888794
   H  15    0.1423888794
   H  16    0.1453996612
   H  17    0.1453996612


BOND ANGLES
   8    3    9  Car   S2  Car    108.000
   6    4   12  Car  Npl   HC    119.995
   6    4   13  Car  Npl   HC    120.015
  12    4   13   HC  Npl   HC    119.990
   7    5   14  Car  Npl   HC    119.997
   7    5   15  Car  Npl   HC    120.002
  14    5   15   HC  Npl   HC    120.001
   4    6    7  Npl  Car  Car    125.993
   4    6    9  Npl  Car  Car    126.006
   7    6    9  Car  Car  Car    108.001
   5    7    6  Npl  Car  Car    126.001
   5    7    8  Npl  Car  Car    126.001
   6    7    8  Car  Car  Car    107.997
   3    8    7   S2  Car  Car    108.001
   3    8   11   S2  Car   HC    126.000
   7    8   11  Car  Car   HC    125.999
   3    9    6   S2  Car  Car    108.000
   3    9   10   S2  Car   HC    125.997
   6    9   10  Car  Car   HC    126.002


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