Sign In Join Free

Products Information

methyl 3-amino-4-methylthiophene-2-carboxylate
methyl 3-amino-4-methylthiophene-2-carboxylate ID: B187266
CAS:85006-31-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1(c(c(cs1)C)N)C(=O)OC	
FORMULA: C7H9NO2S
MASS: 171.2169
EXACT MASS: 171.0353995
INTERATOMIC DISTANCES

              C   1      C   2      S   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7518     0.0000 
   S   3    0.7496     1.2156     0.0000 
   C   4    1.2153     0.7526     1.2146     0.0000 
   C   5    0.7504     1.3394     1.3348     1.9436     0.0000 
   C   6    1.2187     1.2189     0.7552     0.7504     1.9457     0.0000 
   O   7    1.2921     1.5649     1.9986     2.2950     0.7417     2.4979 
   N   8    1.3333     0.7485     1.9395     1.3422     1.6284     1.9460 
   O   9    1.3000     2.0106     1.5642     2.5009     0.7504     2.2995 
   C  10    1.9454     1.3387     1.9480     0.7546     2.6453     1.3429 
   C  11    1.9857     2.6385     2.3145     3.2008     1.3000     3.0460 

              O   7      N   8      O   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   N   8    1.4896     0.0000 
   O   9    1.2921     2.3760     0.0000 
   C  10    2.8920     1.6371     3.2422     0.0000 
   C  11    1.4967     2.8651     0.7504     3.9262     0.0000 



ATOMIC CHARGES
   C   1    0.1215084601
   C   2    0.0978368314
   S   3   -0.0790235636
   C   4    0.0020745801
   C   5    0.3487463246
   C   6    0.0327495474
   O   7   -0.2442778098
   N   8   -0.1276313054
   O   9   -0.4409526766
   C  10    0.0330018061
   C  11    0.2559678057


BOND ANGLES
   2    1    3  Car  Car   S2    108.126
   2    1    5  Car  Car   C2    126.150
   3    1    5   S2  Car   C2    125.724
   1    2    4  Car  Car  Car    107.765
   1    2    8  Car  Car  Npl    125.429
   4    2    8  Car  Car  Npl    126.806
   1    3    6  Car   S2  Car    108.168
   2    4   10  Car  Car   C3    125.296
   2    4    6  Car  Car  Car    108.385
   6    4   10  Car  Car   C3    126.319
   1    5    7  Car   C2   O2    119.982
   1    5    9  Car   C2   O3    120.037
   7    5    9   O2   C2   O3    119.982
   3    6    4   S2  Car  Car    107.556
   5    9   11   C2   O3   C3    120.037


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