22028206
  -OEChem-11242522092D

 12 13  0     1  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5388   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5878    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910    1.0664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -1.0664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509    1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509   -1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400   -1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22028206

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
65.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgIABAAAAAAAAAAAAAEgAAASAAAAAkAAAAAAAAAAAAAAAAGgQAAAAACBSkwAKAAAAABAgAAAAAAAAAAAAAABAAAAAAAAAAAAAgAAACAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-oxa-3-thiabicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_CAS_NAME>
6-oxa-3-thiabicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-oxa-3-thiabicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_NAME>
6-oxa-3-thiabicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-oxa-3-thiabicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-oxa-3-thiabicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6OS/c1-3-4(5-3)2-6-1/h3-4H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
LBBLQQYOWAIIJI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
102.01393598

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6OS

> <PUBCHEM_MOLECULAR_WEIGHT>
102.16

> <PUBCHEM_SMILES>
C1C2C(O2)CS1

> <PUBCHEM_CONNECTIVITY_SMILES>
C1C2C(O2)CS1

> <PUBCHEM_CACTVS_TPSA>
37.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.01393598

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  5  3
4  6  3

$$$$
