61544
  -OEChem-05112407572D

  3  2  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61544

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAABgAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dithioxotitanium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(sulfanylidene)titanium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(sulfanylidene)titanium

> <PUBCHEM_IUPAC_NAME>
bis(sulfanylidene)titanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(sulfanylidene)titanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dithioxotitanium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2S.Ti

> <PUBCHEM_IUPAC_INCHIKEY>
CFJRPNFOLVDFMJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
111.8920830

> <PUBCHEM_MOLECULAR_FORMULA>
S2Ti

> <PUBCHEM_MOLECULAR_WEIGHT>
112.00

> <PUBCHEM_OPENEYE_CAN_SMILES>
S=[Ti]=S

> <PUBCHEM_OPENEYE_ISO_SMILES>
S=[Ti]=S

> <PUBCHEM_CACTVS_TPSA>
64.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
111.8920830

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$