Sign In Join Free

Products Information

Sodium thiophenolate
Sodium thiophenolate ID: API-42870
CAS:930-69-8
Supplier:APIchem

Get a quote


SMILES:[S-]c1ccccc1.[Na+]	ChemMol.com
FORMULA: C6H5NaS
MASS: 132.1587
EXACT MASS: 132.0009654
INTERATOMIC DISTANCES

              S   1     Na   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
  Na   2    1.0000     0.0000 
   C   3    1.0000     1.7320     0.0000 
   C   4    1.7320     2.6457     1.0000     0.0000 
   C   5    1.7320     2.0000     1.0000     1.7320     0.0000 
   C   6    2.6457     3.4641     1.7320     1.0000     2.0000     0.0000 
   C   7    2.6457     3.0000     1.7320     2.0000     1.0000     1.7320 
   C   8    3.0000     3.6055     2.0000     1.7320     1.7320     1.0000 
   H   9    1.8396     2.8291     1.4157     0.6200     2.2900     1.4158 
   H  10    1.8397     1.7733     1.4158     2.2901     0.6201     2.6200 
   H  11    3.1407     4.0130     2.2900     1.4158     2.6199     0.6200 
   H  12    3.1408     3.3533     2.2901     2.6200     1.4158     2.2901 
   H  13    3.6200     4.2100     2.6200     2.2901     2.2901     1.4158 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    2.6199     2.2900     0.0000 
   H  10    1.4158     2.2901     2.8059     0.0000 
   H  11    2.2900     1.4157     1.6200     3.2400     0.0000 
   H  12    0.6201     1.4158     3.2400     1.6200     2.8059     0.0000 
   H  13    1.4158     0.6200     2.8059     2.8059     1.6199     1.6200 

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



ATOMIC CHARGES
   S   1   -1.0000000000
  Na   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   H   9    0.0000000000
   H  10    0.0000000000
   H  11    0.0000000000
   H  12    0.0000000000
   H  13    0.0000000000


BOND ANGLES
   1    3    4   S3  Car  Car    120.001
   1    3    5   S3  Car  Car    120.001
   4    3    5  Car  Car  Car    119.999
   3    4    6  Car  Car  Car    120.001
   3    4    9  Car  Car   HC    119.998
   6    4    9  Car  Car   HC    120.002
   3    5    7  Car  Car  Car    120.001
   3    5   10  Car  Car   HC    120.002
   7    5   10  Car  Car   HC    119.997
   4    6    8  Car  Car  Car    120.001
   4    6   11  Car  Car   HC    120.002
   8    6   11  Car  Car   HC    119.998
   5    7    8  Car  Car  Car    120.001
   5    7   12  Car  Car   HC    119.997
   8    7   12  Car  Car   HC    120.002
   6    8    7  Car  Car  Car    119.999
   6    8   13  Car  Car   HC    120.001
   7    8   13  Car  Car   HC    120.001


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