1201546
  -OEChem-05102419332D

 10 10  0     0  0  0  0  0  0999 V2000
    4.2601    1.0794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.1807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1201546

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
122

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBCIABgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQAAAAAACFwACAAALAAAgMAAEQEAAAAABAABkAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-thioxothiazolidin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-sulfanylidene-4-thiazolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_NAME>
2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
rhodanine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

> <PUBCHEM_IUPAC_INCHIKEY>
KIWUVOGUEXMXSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
132.96560607

> <PUBCHEM_MOLECULAR_FORMULA>
C3H3NOS2

> <PUBCHEM_MOLECULAR_WEIGHT>
133.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(=O)NC(=S)S1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(=O)NC(=S)S1

> <PUBCHEM_CACTVS_TPSA>
86.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
132.96560607

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$