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2-Methyl-2-thiazoline
2-Methyl-2-thiazoline ID: API-45563
CAS:2346-00-1
Supplier:APIchem

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SMILES:S1CCN=C1C	ChemMol.com
FORMULA: C4H7NS
MASS: 101.1701
EXACT MASS: 101.0299202
INTERATOMIC DISTANCES

              S   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    1.6180     0.0000 
   C   3    1.0000     1.6180     0.0000 
   C   4    1.6180     1.0000     0.9999     0.0000 
   C   5    1.0000     0.9999     1.6180     1.6180     0.0000 
   C   6    1.7820     1.7821     2.5876     2.5876     1.0001     0.0000 
   H   7    1.6116     2.0014     0.6200     1.1202     2.1989     3.1853 
   H   8    1.1202     2.1989     0.6201     1.6116     2.0014     2.8881 
   H   9    2.1989     1.1202     1.6116     0.6200     2.0014     2.8881 
   H  10    2.0013     1.6116     1.1201     0.6199     2.1988     3.1853 
   H  11    1.5990     2.1361     2.5417     2.7749     1.1766     0.6200 
   H  12    2.3514     2.3514     3.1982     3.1982     1.6201     0.6200 
   H  13    2.1362     1.5990     2.7749     2.5417     1.1766     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8297     0.0000 
   H   9    1.6169     2.2129     0.0000 
   H  10    0.8704     1.6169     0.8297     0.0000 
   H  11    3.1608     2.7117     3.1776     3.3272     0.0000 
   H  12    3.8005     3.4690     3.4690     3.8004     0.8769     0.0000 
   H  13    3.3272     3.1777     2.7118     3.1608     1.2400     0.8768 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
   S   1   -0.1090828885
   N   2   -0.2809394980
   C   3    0.0189402016
   C   4    0.0498736597
   C   5    0.0656871384
   C   6   -0.0166350634
   H   7    0.0398005672
   H   8    0.0398005672
   H   9    0.0516492967
   H  10    0.0516492967
   H  11    0.0297522408
   H  12    0.0297522408
   H  13    0.0297522408


BOND ANGLES
   3    1    5   C3   S3   C2    107.997
   4    2    5   C3   N2   C2    108.000
   1    3    4   S3   C3   C3    108.001
   1    3    7   S3   C3   HC    167.992
   1    3    8   S3   C3   HC     83.996
   4    3    7   C3   C3   HC     84.007
   4    3    8   C3   C3   HC    168.003
   7    3    8   HC   C3   HC     83.996
   2    4    3   N2   C3   C3    108.000
   2    4    9   N2   C3   HC     84.001
   2    4   10   N2   C3   HC    167.999
   3    4    9   C3   C3   HC    167.999
   3    4   10   C3   C3   HC     84.000
   9    4   10   HC   C3   HC     83.999
   1    5    2   S3   C2   N2    108.001
   1    5    6   S3   C2   C3    125.995
   2    5    6   N2   C2   C3    126.004
   5    6   11   C2   C3   HC     90.001
   5    6   12   C2   C3   HC    179.974
   5    6   13   C2   C3   HC     89.996
  11    6   12   HC   C3   HC     90.012
  11    6   13   HC   C3   HC    179.974
  12    6   13   HC   C3   HC     89.991


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