Marvin  08150713242D          

  6  6  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <ID>
CHEBI:39196

> <NAME>
1,3,5-trithiane

> <STAR>
3

> <SYNONYM>
trithioformaldehyde; trimethylene trisulfide; thioform; sym-trithiane; sym-Trithian; s-trithiane; 1,3,5-Trithian; 1,3,5-trithiacyclohexane

> <IUPAC_NAME>
1,3,5-trithiane

> <FORMULA>
C3H6S3

> <MASS>
138.27774

> <MONOISOTOPIC_MASS>
137.96316

> <CHARGE>
0

> <SMILES>
C1SCSCS1

> <INCHI>
InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2

> <INCHIKEY>
LORRLQMLLQLPSJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
79834

> <CAS_REGISTRY_NUMBER>
291-21-4

> <GMELIN_REGISTRY_NUMBER>
26380

> <CHEMIDPLUS>
291-21-4

> <NIST_CHEMISTRY_WEBBOOK>
291-21-4

$$$$