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1-(2-Hydroxyethyl)imidazolidine-2-thione
1-(2-Hydroxyethyl)imidazolidine-2-thione ID: API-42891
CAS:932-49-0
Supplier:APIchem

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SMILES:S=C1N(CCN1)CCO	ChemMol.com
FORMULA: C5H10N2OS
MASS: 146.2107
EXACT MASS: 146.0513840
INTERATOMIC DISTANCES

              S   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    3.8234     0.0000 
   N   3    1.7819     2.6458     0.0000 
   N   4    1.7819     4.2636     1.6180     0.0000 
   C   5    2.5876     3.0883     1.0001     1.6181     0.0000 
   C   6    2.5875     4.0554     1.6180     1.0000     1.0000     0.0000 
   C   7    2.1755     1.7321     1.0000     2.5876     1.7821     2.5876 
   C   8    0.9999     3.5129     1.0000     0.9999     1.6181     1.6180 
   C   9    3.1718     1.0000     1.7321     3.3317     2.0886     3.0608 
   H  10    3.1852     3.3786     1.6116     2.0014     0.6199     1.1201 
   H  11    2.8881     2.5633     1.1203     2.1990     0.6201     1.6117 
   H  12    2.8880     4.6753     2.1989     1.1202     1.6116     0.6200 
   H  13    3.1853     4.1746     2.0014     1.6117     1.1201     0.6200 
   H  14    2.4210     1.4156     1.5967     3.1347     2.3986     3.2016 
   H  15    1.6411     2.1828     1.0812     2.4337     2.0509     2.6728 
   H  16    1.9762     4.8590     2.2159     0.6200     2.2160     1.4537 
   H  17    3.0799     1.5967     1.4156     2.9195     1.5290     2.5233 
   H  18    3.7463     1.0812     2.1829     3.7158     2.2947     3.2946 
   H  19    4.4210     0.6200     3.1408     4.7469     3.4493     4.4416 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7820     0.0000 
   C   9    1.0001     2.6767     0.0000 
   H  10    2.2972     2.1989     2.3948     0.0000 
   H  11    1.5351     2.0015     1.5713     0.8298     0.0000 
   H  12    3.1853     2.0014     3.6807     1.6169     2.2129     0.0000 
   H  13    2.8881     2.1989     3.1768     0.8703     1.6169     0.8298 
   H  14    0.6200     2.2510     1.0813     2.8963     2.1071     3.7936 
   H  15    0.6199     1.4935     1.5967     2.6353     1.9701     3.2222 
   H  16    3.1609     1.4537     3.9407     2.5412     2.8094     1.3047 
   H  17    1.0813     2.4139     0.6200     1.7824     0.9691     3.1393 
   H  18    1.5968     3.1693     0.6199     2.4498     1.6966     3.9045 
   H  19    2.2901     4.0544     1.4158     3.6501     2.8749     5.0588 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.5075     0.0000 
   H  15    3.0826     0.7970     0.0000 
   H  16    2.0058     3.6813     2.9438     0.0000 
   H  17    2.5853     1.4515     1.6888     3.5386     0.0000 
   H  18    3.2962     1.6888     2.2063     4.3346     0.7971     0.0000 
   H  19    4.4875     2.0285     2.7805     5.3542     1.9203     1.2046 

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



ATOMIC CHARGES
   S   1   -0.0186822207
   O   2   -0.3934608982
   N   3   -0.3090410015
   N   4   -0.3249211339
   C   5    0.0293469185
   C   6    0.0264438006
   C   7    0.0369694103
   C   8    0.1330206222
   C   9    0.0599140299
   H  10    0.0479518897
   H  11    0.0479518897
   H  12    0.0477041585
   H  13    0.0477041585
   H  14    0.0486671403
   H  15    0.0486671403
   H  16    0.1477726917
   H  17    0.0572641175
   H  18    0.0572641175
   H  19    0.2094631690


BOND ANGLES
   9    2   19   C3   O3   HO    120.002
   5    3    7   C3  Nam   C3    125.998
   5    3    8   C3  Nam   C2    108.001
   7    3    8   C3  Nam   C2    126.001
   6    4    8   C3  Nam   C2    108.000
   6    4   16   C3  Nam   HC    125.997
   8    4   16   C2  Nam   HC    126.002
   3    5    6  Nam   C3   C3    107.992
   3    5   10  Nam   C3   HC    168.008
   3    5   11  Nam   C3   HC     83.999
   6    5   10   C3   C3   HC     84.000
   6    5   11   C3   C3   HC    168.008
  10    5   11   HC   C3   HC     84.009
   4    6    5  Nam   C3   C3    108.006
   4    6   12  Nam   C3   HC     84.001
   4    6   13  Nam   C3   HC    168.001
   5    6   12   C3   C3   HC    167.994
   5    6   13   C3   C3   HC     83.993
  12    6   13   HC   C3   HC     84.001
   3    7    9  Nam   C3   C3    119.998
   3    7   14  Nam   C3   HC    160.004
   3    7   15  Nam   C3   HC     80.004
   9    7   14   C3   C3   HC     79.998
   9    7   15   C3   C3   HC    159.998
  14    7   15   HC   C3   HC     80.000
   1    8    3   S2   C2  Nam    125.999
   1    8    4   S2   C2  Nam    126.000
   3    8    4  Nam   C2  Nam    108.001
   2    9    7   O3   C3   C3    119.998
   2    9   17   O3   C3   HC    160.004
   2    9   18   O3   C3   HC     79.995
   7    9   17   C3   C3   HC     79.998
   7    9   18   C3   C3   HC    160.007
  17    9   18   HC   C3   HC     80.009


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