
 N-Nitrosodithiazine

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.6960    1.2699   -0.1332 C   0  0  0  0  0
   -0.6495    1.2105    0.4484 N   0  0  0  0  0
   -1.4185    0.0940   -0.1233 C   0  0  0  0  0
   -0.8194   -1.5448    0.3757 S   0  0  0  0  0
    0.8285   -1.4489   -0.3376 C   0  0  0  0  0
    1.7795   -0.0959    0.3666 S   0  0  0  0  0
   -1.2616    2.3742    0.3367 N   0  0  0  0  0
   -2.2441    2.4304    1.0836 O   0  0  0  0  0
    0.6724    1.3307   -1.2300 H   0  0  0  0  0
    1.2139    2.1736    0.2154 H   0  0  0  0  0
   -2.4575    0.1209    0.2282 H   0  0  0  0  0
   -1.4628    0.1455   -1.2193 H   0  0  0  0  0
    1.3515   -2.3859   -0.1250 H   0  0  0  0  0
    0.7688   -1.3495   -1.4259 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  7  8  2  0  0  0
M  END

>  <Chemical Name>
N-Nitrosodithiazine

>  <PubChem CID>
130741

>  <Formula>
C3H6N2OS2

>  <Molecular Weight>
150.214000

>  <IUPAC Name>
5-nitroso-1,3,5-dithiazinane

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1N(CSCS1)N=O

>  <Isomeric SMILES>
C1N(CSCS1)N=O

>  <InChI Std. ID>
InChI=1S/C3H6N2OS2/c6-4-5-1-7-3-8-2-5/h1-3H2

>  <InChI Key>
HAGCCDDROWPBPR-UHFFFAOYSA-N

