Sign In Join Free

Products Information

2-Amino-5-isopropylthiazole
2-Amino-5-isopropylthiazole ID: API-29024
CAS:101080-15-3
Supplier:APIchem

Get a quote


SMILES:s1c(C(C)C)cnc1N	ChemMol.com
FORMULA: C6H10N2S
MASS: 142.2220
EXACT MASS: 142.0564693
INTERATOMIC DISTANCES

              S   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    1.6180     0.0000 
   N   3    1.7820     1.7821     0.0000 
   C   4    1.7820     2.5876     3.5202     0.0000 
   C   5    1.0000     1.6180     2.5876     1.0001     0.0000 
   C   6    2.6767     3.0608     4.3155     1.0000     1.7320     0.0000 
   C   7    2.0886     3.3318     3.8543     1.0000     1.7321     1.7321 
   C   8    1.6180     1.0000     2.5876     1.7821     0.9999     2.0885 
   C   9    1.0000     0.9999     1.0001     2.5876     1.6180     3.3317 
   H  10    1.3064     2.4582     3.0874     0.6200     0.8743     1.6200 
   H  11    2.5190     2.5916     4.0108     1.1766     1.5200     0.6200 
   H  12    2.6369     3.7284     4.4169     1.1765     2.1115     1.5201 
   H  13    2.4703     3.8518     4.1698     1.6200     2.2901     2.2901 
   H  14    1.5937     3.0114     3.3121     1.1766     1.5201     2.1115 
   H  15    3.2622     3.4685     4.8469     1.6200     2.2901     0.6200 
   H  16    2.9585     3.5762     4.6828     1.1766     2.1115     0.6201 
   H  17    2.2159     1.4537     3.1609     1.9763     1.4537     1.9696 
   H  18    2.3266     1.9172     0.6200     4.0025     3.0316     4.7308 
   H  19    1.9172     2.3266     0.6199     3.6991     2.8491     4.5737 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6767     0.0000 
   C   9    3.0608     1.6180     0.0000 
   H  10    0.8743     1.8558     2.2291     0.0000 
   H  11    2.1114     1.5936     3.0113     1.7345     0.0000 
   H  12    0.6199     2.9584     3.5762     1.3471     2.0379     0.0000 
   H  13    0.6200     3.2623     3.4685     1.4158     2.7145     0.8768 
   H  14    0.6200     2.5190     2.5916     0.6950     2.3520     1.2400 
   H  15    2.2900     2.4703     3.8518     2.2400     0.8769     1.9721 
   H  16    1.5200     2.6369     3.7285     1.7346     1.2401     1.1120 
   H  17    2.9537     0.6200     2.2159     2.2195     1.3774     3.1210 
   H  18    4.4144     2.8491     1.4158     3.6166     4.3680     4.9590 
   H  19    3.8749     3.0317     1.4158     3.1941     4.3398     4.4700 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8769     0.0000 
   H  15    2.8059     2.7145     0.0000 
   H  16    1.9721     2.0380     0.8768     0.0000 
   H  17    3.5661     2.9115     2.2063     2.5750     0.0000 
   H  18    4.7582     3.8922     5.2278     5.1430     3.3664     0.0000 
   H  19    4.1042     3.2888     5.1390     4.8757     3.6317     1.0738 

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



ATOMIC CHARGES
   S   1   -0.0573599954
   N   2   -0.2332116418
   N   3   -0.3375156643
   C   4   -0.0137253602
   C   5    0.0136029090
   C   6   -0.0581156635
   C   7   -0.0581156635
   C   8    0.0402391015
   C   9    0.1556983470
   H  10    0.0349037213
   H  11    0.0235611503
   H  12    0.0235611503
   H  13    0.0235611503
   H  14    0.0235611503
   H  15    0.0235611503
   H  16    0.0235611503
   H  17    0.0838376607
   H  18    0.1441976737
   H  19    0.1441976737


BOND ANGLES
   5    1    9  Car   S2  Car    107.997
   8    2    9  Car  Nar  Car    108.000
   9    3   18  Car  Npl   HC    119.990
   9    3   19  Car  Npl   HC    120.004
  18    3   19   HC  Npl   HC    120.005
   5    4    6  Car   C3   C3    119.992
   5    4    7  Car   C3   C3    120.004
   5    4   10  Car   C3   HC     59.996
   6    4    7   C3   C3   C3    120.005
   6    4   10   C3   C3   HC    179.974
   7    4   10   C3   C3   HC     60.007
   1    5    4   S2  Car   C3    125.995
   1    5    8   S2  Car  Car    108.001
   4    5    8   C3  Car  Car    126.004
   4    6   11   C3   C3   HC     89.999
   4    6   15   C3   C3   HC    179.974
   4    6   16   C3   C3   HC     89.995
  11    6   15   HC   C3   HC     90.013
  11    6   16   HC   C3   HC    179.974
  15    6   16   HC   C3   HC     89.993
   4    7   12   C3   C3   HC     89.999
   4    7   13   C3   C3   HC    179.974
   4    7   14   C3   C3   HC     89.999
  12    7   13   HC   C3   HC     90.002
  12    7   14   HC   C3   HC    179.974
  13    7   14   HC   C3   HC     90.000
   2    8    5  Nar  Car  Car    108.000
   2    8   17  Nar  Car   HC    125.997
   5    8   17  Car  Car   HC    126.002
   1    9    2   S2  Car  Nar    108.001
   1    9    3   S2  Car  Npl    125.995
   2    9    3  Nar  Car  Npl    126.004


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