32196
 OpenBabel05082101102D

 15 15  0  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
    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
    4.5691   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564    0.5668    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
    2.3738    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
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775   -0.7703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588   -0.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607    0.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
32196

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
46.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAQQAAAAAADFQASCAALAAAgAAAAAAAAAAABAABAAAIAIAAAAAAAAAAAAAAAAEACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methylthiazolidine

>  <PUBCHEM_IUPAC_CAS_NAME>
2-methylthiazolidine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-1,3-thiazolidine

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

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

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylthiazolidine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DQMLFUMEBNHPPB-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0.7

>  <PUBCHEM_EXACT_MASS>
103.04557

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H9NS

>  <PUBCHEM_MOLECULAR_WEIGHT>
103.19

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1NCCS1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1NCCS1

>  <PUBCHEM_CACTVS_TPSA>
37.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
103.04557

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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  6  3

$$$$
