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2-((2-Aminoethylthio)methyl)-5-((N,N-dimethylamino)methyl)furan
2-((2-Aminoethylthio)methyl)-5-((N,N-dimethylamino)methyl)furan ID: CHH12009
CAS:66356-53-4
Supplier:ChemiK Co.,Ltd.

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SMILES:o1c(ccc1CN(C)C)CSCCN	
FORMULA: C10H18N2OS
MASS: 214.3277
EXACT MASS: 214.1139842
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4460     0.8937     0.0000 
   C   4    1.4461     1.4462     0.8937     0.0000 
   C   5    0.8938     1.4462     1.4461     0.8938     0.0000 
   C   6    1.5927     2.3127     2.3126     1.5927     0.8937     0.0000 
   N   7    2.3923     2.9778     2.7355     1.8666     1.5479     0.8938 
   C   8    2.6780     3.0213     2.5221     1.6414     1.7874     1.5481 
   C   9    3.1396     3.8106     3.6245     2.7602     2.3646     1.5481 
   C  10    1.5927     0.8938     1.5927     2.3127     2.3128     3.1461 
   S  11    2.3923     1.5480     1.8667     2.7356     2.9778     3.8570 
   C  12    2.6779     1.7875     1.6415     2.5222     3.0214     3.9121 
   C  13    3.5713     2.6812     2.4574     3.3004     3.8786     4.7622 
   N  14    4.0742     3.2225     2.7650     3.4881     4.2073     5.0501 

              N   7      C   8      C   9      C  10      S  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    0.8938     1.5480     0.0000 
   C  10    3.8570     3.9121     4.6715     0.0000 
   S  11    4.4745     4.3769     5.3317     0.8938     0.0000 
   C  12    4.3769     4.1029     5.2659     1.5480     0.8937     0.0000 
   C  13    5.1670     4.8044     6.0606     2.3646     1.5480     0.8938 
   N  14    5.3132     4.8120     6.1992     3.0961     2.3647     1.5481 

              C  13      N  14
              ----------------------
   C  13    0.0000 
   N  14    0.8938     0.0000 



ATOMIC CHARGES
   O   1   -0.4597539578
   C   2    0.1333079267
   C   3    0.0366625923
   C   4    0.0371752610
   C   5    0.1385755997
   C   6    0.1376729879
   N   7   -0.2638658147
   C   8    0.0900081214
   C   9    0.0900081214
   C  10    0.1218133899
   S  11   -0.1305650961
   C  12    0.0784616883
   C  13    0.1209244284
   N  14   -0.1304252484


BOND ANGLES
   2    1    5  Car   O2  Car    108.004
   1    2    3   O2  Car  Car    107.993
   1    2   10   O2  Car   C3    126.000
   3    2   10  Car  Car   C3    126.007
   2    3    4  Car  Car  Car    108.011
   3    4    5  Car  Car  Car    107.997
   1    5    4   O2  Car  Car    107.996
   4    5    6  Car  Car   C3    126.007
   1    5    6   O2  Car   C3    125.997
   5    6    7  Car   C3   N3    119.991
   8    7    9   C3   N3   C3    119.997
   6    7    8   C3   N3   C3    120.005
   6    7    9   C3   N3   C3    119.998
   2   10   11  Car   C3   S3    119.997
  10   11   12   C3   S3   C3    120.002
  11   12   13   S3   C3   C3    120.002
  12   13   14   C3   C3   N3    120.002


TORSION ANGLES
   5    1    2    3      0.026
   5    1    2   10    179.974
   1    2    3    4      0.026
  10    2    3    4    179.974
   2    3    4    5      0.026
   3    4    5    1      0.026
   3    4    5    6    179.974
   2    1    5    4      0.026
   2    1    5    6    179.974
   5    6    7    8      0.026
   5    6    7    9    179.974
   4    5    6    7      0.026
   1    5    6    7    179.974
  11   12   13   14    179.974
  10   11   12   13    179.974
   2   10   11   12      0.026
   1    2   10   11    179.974
   3    2   10   11      0.026