24478
  -OEChem-05112413122D

  7  6  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2315    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24478

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
98.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAIAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sulfurothioic O-acid

> <PUBCHEM_IUPAC_CAS_NAME>
sulfurothioic O-acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
sulfurothioic O-acid

> <PUBCHEM_IUPAC_NAME>
sulfurothioic O-acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sulfurothioic O-acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfurothioic O-acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
DHCDFWKWKRSZHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
113.94453627

> <PUBCHEM_MOLECULAR_FORMULA>
H2O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
114.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
OS(=O)(=S)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
OS(=O)(=S)O

> <PUBCHEM_CACTVS_TPSA>
98

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
113.94453627

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$