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4-Amino-5-(2-methylsulfanyl-phenyl)
4-Amino-5-(2-methylsulfanyl-phenyl)
ID: BP-11965
Supplier:BroadPharm

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SMILES:c1(n(c(nn1)S)N)c1c(SC)cccc1	
FORMULA: C9H10N4S2
MASS: 238.3325
EXACT MASS: 238.0346883
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6007     0.0000 
   N   3    0.6032     0.9726     0.0000 
   C   4    0.9717     0.5989     0.9718     0.0000 
   N   5    0.9707     0.9677     0.5998     0.5975     0.0000 
   C   6    0.8058     1.2631     1.2534     1.7582     1.7526     0.0000 
   C   7    1.2284     1.7813     1.4615     2.1950     2.0435     0.6010 
   N   8    1.0814     0.5993     1.5589     1.0541     1.5426     1.4723 
   S   9    1.5523     1.0670     1.5525     0.5991     1.0667     2.3123 
   S  10    1.3263     1.9269     1.2908     2.1962     1.8870     1.0398 
   C  11    1.2162     1.4613     1.7666     2.0412     2.1832     0.6000 
   C  12    1.7852     2.2966     2.0587     2.7569     2.6378     1.0375 
   C  13    1.0721     1.6357     0.7945     1.7611     1.3570     1.2000 
   C  14    1.7801     2.0623     2.2882     2.6397     2.7506     1.0398 
   C  15    2.0042     2.4113     2.4059     2.9454     2.9416     1.1985 

              C   7      N   8      S   9      S  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    2.0623     0.0000 
   S   9    2.7806     1.2786     0.0000 
   S  10    0.6000     2.3427     2.7950     0.0000 
   C  11    1.0398     1.4186     2.5193     1.5878     0.0000 
   C  12    0.5975     2.4832     3.3305     1.0378     1.1985     0.0000 
   C  13    1.0398     2.1535     2.3467     0.6010     1.8000     1.5863 
   C  14    1.2000     1.9857     3.1196     1.8000     0.6010     1.0378 
   C  15    1.0378     2.4518     3.4774     1.5865     1.0375     0.6000 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    2.1636     0.0000 
   C  15    2.0776     0.5975     0.0000 



ATOMIC CHARGES
   C   1    0.1836894098
   N   2   -0.1951222172
   N   3   -0.1267651933
   C   4    0.2196962019
   N   5   -0.1198469329
   C   6    0.0429694105
   C   7    0.0282241471
   N   8    0.0029859160
   S   9   -0.0078207038
   S  10   -0.1126357119
   C  11    0.0035826512
   C  12    0.0062487382
   C  13    0.0741583214
   C  14    0.0001316491
   C  15    0.0005043141


BOND ANGLES
   2    1    3  Nar  Car  Nar    107.768
   2    1    6  Nar  Car  Car    127.207
   3    1    6  Nar  Car  Car    125.025
   1    2    4  Car  Nar  Car    108.186
   1    2    8  Car  Nar   N3    128.613
   4    2    8  Car  Nar   N3    123.201
   1    3    5  Car  Nar  Nar    107.575
   2    4    9  Nar  Car   S3    125.912
   2    4    5  Nar  Car  Nar    107.960
   5    4    9  Nar  Car   S3    126.128
   3    5    4  Nar  Nar  Car    108.511
   1    6    7  Car  Car  Car    120.978
   1    6   11  Car  Car  Car    119.078
   7    6   11  Car  Car  Car    119.944
   6    7   10  Car  Car   S3    119.944
   6    7   12  Car  Car  Car    119.917
  10    7   12   S3  Car  Car    120.140
   7   10   13  Car   S3   C3    119.944
   6   11   14  Car  Car  Car    119.944
   7   12   15  Car  Car  Car    120.140
  11   14   15  Car  Car  Car    119.917
  12   15   14  Car  Car  Car    120.140


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