Sign In Join Free

Products Information

4-Amino-2,1,3-benzothiadiazole
4-Amino-2,1,3-benzothiadiazole
ID: BP-11190
CAS:767-64-6
Supplier:BroadPharm

Get a quote


SMILES:n1snc2c1cccc2N	
FORMULA: C6H5N3S
MASS: 151.1890
EXACT MASS: 151.0204182
INTERATOMIC DISTANCES

              N   1      S   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   S   2    1.2500     0.0000 
   N   3    2.0226     1.2500     0.0000 
   C   4    2.0226     2.0225     1.2500     0.0000 
   C   5    1.2500     2.0226     2.0226     1.2501     0.0000 
   C   6    3.2051     3.2556     2.2838     1.2500     2.1651     0.0000 
   C   7    3.7318     4.1361     3.3760     2.1650     2.5000     1.2500 
   C   8    3.3761     4.1361     3.7317     2.5000     2.1650     2.1651 
   C   9    2.2839     3.2556     3.2051     2.1651     1.2500     2.5000 
   N  10    4.1819     3.9098     2.7157     2.1650     3.3072     1.2500 

              C   7      C   8      C   9      N  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.2501     0.0000 
   C   9    2.1651     1.2500     0.0000 
   N  10    2.1650     3.3072     3.7500     0.0000 



ATOMIC CHARGES
   N   1   -0.1900803584
   S   2    0.1165507828
   N   3   -0.1887454376
   C   4    0.1254698593
   C   5    0.1101813302
   C   6    0.1088160049
   C   7    0.0197145537
   C   8    0.0030509890
   C   9    0.0214481432
   N  10   -0.1264058671


BOND ANGLES
   2    1    5   S2  Nar  Car    107.997
   1    2    3  Nar   S2  Nar    108.003
   2    3    4   S2  Nar  Car    108.001
   3    4    5  Nar  Car  Car    108.001
   3    4    6  Nar  Car  Car    132.001
   5    4    6  Car  Car  Car    119.998
   1    5    4  Nar  Car  Car    107.998
   4    5    9  Car  Car  Car    120.001
   1    5    9  Nar  Car  Car    132.001
   4    6    7  Car  Car  Car    120.001
   7    6   10  Car  Car  Npl    119.999
   4    6   10  Car  Car  Npl    120.001
   6    7    8  Car  Car  Car    120.001
   7    8    9  Car  Car  Car    119.998
   5    9    8  Car  Car  Car    120.001


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