
 xylazine

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.2495    1.1493   -1.5730 C   0  0  0  0  0
    3.4923    1.1831   -0.7205 C   0  0  0  0  0
    3.9715    0.0168   -0.0665 C   0  0  0  0  0
    5.1402    0.1137    0.7218 C   0  0  0  0  0
    5.7643    1.3647    0.8893 C   0  0  0  0  0
    5.2759    2.5032    0.2580 C   0  0  0  0  0
    4.1485    2.4124   -0.5477 C   0  0  0  0  0
    5.7860   -1.0664    1.3975 C   0  0  0  0  0
    3.2741   -1.1895   -0.2758 N   0  0  0  0  0
    2.9520   -2.1797    0.6094 C   0  0  0  0  0
    2.9531   -2.0675    1.8864 N   0  0  0  0  0
    2.5906   -3.1392    2.7934 C   0  0  0  0  0
    3.0058   -4.5010    2.2804 C   0  0  0  0  0
    2.2194   -4.8295    1.0330 C   0  0  0  0  0
    2.5035   -3.6314   -0.2776 S   0  0  0  0  0
    2.3443    0.3982   -2.3636 H   0  0  0  0  0
    2.0735    2.1119   -2.0655 H   0  0  0  0  0
    1.3742    0.9249   -0.9553 H   0  0  0  0  0
    6.6541    1.4506    1.5100 H   0  0  0  0  0
    5.7766    3.4582    0.3922 H   0  0  0  0  0
    3.7764    3.3104   -1.0357 H   0  0  0  0  0
    5.3754   -1.2042    2.4014 H   0  0  0  0  0
    6.8669   -0.9119    1.4950 H   0  0  0  0  0
    5.6662   -1.9827    0.8123 H   0  0  0  0  0
    3.1402   -1.4256   -1.2489 H   0  0  0  0  0
    3.0978   -2.9600    3.7482 H   0  0  0  0  0
    1.5145   -3.1032    3.0000 H   0  0  0  0  0
    4.0848   -4.5328    2.0836 H   0  0  0  0  0
    2.7985   -5.2577    3.0461 H   0  0  0  0  0
    1.1464   -4.8569    1.2514 H   0  0  0  0  0
    2.4992   -5.8211    0.6629 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
M  END

>  <Chemical Name>
xylazine

>  <PubChem CID>
5707

>  <Formula>
C12H16N2S

>  <Molecular Weight>
220.334000

>  <IUPAC Name>
N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)NC2=NCCCS2

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)NC2=NCCCS2

>  <InChI Std. ID>
InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)

>  <InChI Key>
BPICBUSOMSTKRF-UHFFFAOYSA-N

