2723650
  -OEChem-05102404102D

 12 12  0     0  0  0  0  0  0999 V2000
    4.5691   -0.4314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.7102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.1297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.4452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    0.9575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.3302    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
  2 11  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  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
M  END
> <PUBCHEM_COMPOUND_CID>
2723650

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
63.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAQQAAAAAADBAAQBAALAAAAEAAAAAAAAAAAAAAkAAIAIAACAQAAAAAAQAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
imidazolidine-2-thione

> <PUBCHEM_IUPAC_CAS_NAME>
2-imidazolidinethione

> <PUBCHEM_IUPAC_NAME_MARKUP>
imidazolidine-2-thione

> <PUBCHEM_IUPAC_NAME>
imidazolidine-2-thione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
imidazolidine-2-thione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylenethiourea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

> <PUBCHEM_IUPAC_INCHIKEY>
PDQAZBWRQCGBEV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.7

> <PUBCHEM_EXACT_MASS>
102.02516937

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6N2S

> <PUBCHEM_MOLECULAR_WEIGHT>
102.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNC(=S)N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNC(=S)N1

> <PUBCHEM_CACTVS_TPSA>
56.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.02516937

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$