12518
  CDK     0910211424

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.3645   -0.2558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:179054

> <NAME>
Thialdine

> <STAR>
2

> <IUPAC_NAME>
2,4,6-trimethyl-1,3,5-dithiazinane

> <FORMULA>
C6H13NS2

> <MASS>
163.300

> <MONOISOTOPIC_MASS>
163.04894

> <CHARGE>
0

> <SMILES>
S1C(NC(SC1C)C)C

> <INCHI>
InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3

> <INCHIKEY>
FBMVFHKKLDGLJA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
86241-90-9

> <CHEMIDPLUS>
86241-90-9

$$$$