
 Tocris-0871

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.0032   -0.2444    0.0038 C   0  0  0  0  0
    2.4658    0.1258    0.2654 C   0  0  0  0  0
    2.8786    1.3274   -0.5827 C   0  0  0  0  0
    4.0145    1.1307   -1.5695 C   0  0  0  0  0
    4.0342   -0.1534   -2.2545 N   0  0  0  0  0
    3.9341   -1.2298   -1.5764 C   0  0  0  0  0
    3.5514   -1.3195    0.1121 S   0  0  0  0  0
    4.1499   -2.4353   -2.1580 N   0  0  0  0  0
    0.3557    0.6099    0.2389 H   0  0  0  0  0
    0.6720   -1.0758    0.6358 H   0  0  0  0  0
    0.8280   -0.5082   -1.0441 H   0  0  0  0  0
    2.5249    0.4189    1.3211 H   0  0  0  0  0
    3.1774    2.1377    0.0969 H   0  0  0  0  0
    2.0091    1.7283   -1.1182 H   0  0  0  0  0
    4.9833    1.2987   -1.0837 H   0  0  0  0  0
    3.9288    1.9102   -2.3378 H   0  0  0  0  0
    4.2049   -2.4224   -3.1671 H   0  0  0  0  0
    3.7341   -3.2447   -1.7249 H   0  0  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  8 17  1  0  0  0
  8 18  1  0  0  0
M  END

>  <Chemical Name>
Tocris-0871

>  <PubChem CID>
6603722

>  <Formula>
C5H10N2S

>  <Molecular Weight>
130.209000

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

>  <XlogP>
0.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CCN=C(S1)N

>  <Isomeric SMILES>
C[C@@H]1CCN=C(S1)N

>  <InChI Std. ID>
InChI=1S/C5H10N2S/c1-4-2-3-7-5(6)8-4/h4H,2-3H2,1H3,(H2,6,7)/t4-/m1/s1

>  <InChI Key>
BATVOUKHGLKDGQ-SCSAIBSYSA-N

