146885
  -OEChem-05241308332D

 21 21  0     1  0  0  0  0  0999 V2000
    3.3090    1.0794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1284    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2191    0.7294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.3805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033    1.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237    0.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717   -0.4102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530   -0.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4549    0.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146885

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
65.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAQQAAAACADFQASCAALAAAgAAAAAAAAAAABAABAAAIAIAAAAAAAggAAEAAAAEACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-propylthiazolidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-propylthiazolidine

> <PUBCHEM_IUPAC_NAME>
2-propyl-1,3-thiazolidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-propyl-1,3-thiazolidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-propylthiazolidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13NS/c1-2-3-6-7-4-5-8-6/h6-7H,2-5H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
UDJJSTNTIKWCCW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
131.07687

> <PUBCHEM_MOLECULAR_FORMULA>
C6H13NS

> <PUBCHEM_MOLECULAR_WEIGHT>
131.23912

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC1NCCS1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC1NCCS1

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
131.07687

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  9  3

$$$$