7568320
  -OEChem-04282423292D

 15 15  0     1  0  0  0  0  0999 V2000
    4.8479   -1.0419    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    0.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.2181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2788   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    1.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693    0.7706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124   -0.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -1.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    2.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    2.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7568320

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
124

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiIABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQAAAACBThgAYAAALABACEACBCAAAAAAAgAAkIAIAIAAkCBAAAIQANAAAAEAAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5S)-5-vinyloxazolidine-2-thione

> <PUBCHEM_IUPAC_CAS_NAME>
(5S)-5-ethenyl-2-oxazolidinethione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>S</I>)-5-ethenyl-1,3-oxazolidine-2-thione

> <PUBCHEM_IUPAC_NAME>
(5S)-5-ethenyl-1,3-oxazolidine-2-thione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5S)-5-ethenyl-1,3-oxazolidine-2-thione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5S)-5-vinyloxazolidine-2-thione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
UZQVYLOFLQICCT-BYPYZUCNSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
129.02483502

> <PUBCHEM_MOLECULAR_FORMULA>
C5H7NOS

> <PUBCHEM_MOLECULAR_WEIGHT>
129.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC1CNC(=S)O1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C[C@H]1CNC(=S)O1

> <PUBCHEM_CACTVS_TPSA>
53.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
129.02483502

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
4  7  6

$$$$
