Ketcher 08191511012D 1   1.00000     0.00000     0

  4  4  0     0  0            999 V2000
   11.3074   -7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3074   -8.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3074   -7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3075   -8.2110    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  4  2  1  0     0  0
  3  2  1  0     0  0
M  END
> <ID>
CHEBI:87565

> <NAME>
thietane

> <DEFINITION>
An organosulfur heterocyclic compound containing a saturated four membered ring with 3 carbon atoms and 1 sulfur atom.

> <STAR>
3

> <SYNONYM>
trimethylene sulfide; thiacyclobutane; 1,3-epithio propane

> <IUPAC_NAME>
thietane

> <FORMULA>
C3H6S

> <MASS>
74.14500

> <MONOISOTOPIC_MASS>
74.01902

> <CHARGE>
0

> <SMILES>
C1CSC1

> <INCHI>
InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2

> <INCHIKEY>
XSROQCDVUIHRSI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
287-27-4

> <REAXYS_REGISTRY_NUMBER>
102383

> <CHEMIDPLUS>
287-27-4

> <NIST_CHEMISTRY_WEBBOOK>
287-27-4

> <WIKIPEDIA_ACCESSION>
Thietane

> <PUBMED_CITATION>
12298018; 12377049; 24278296; 27659093; 28086263; 28350164; 29712165; 32647542; 3769053

$$$$