114845
  -OEChem-05112410242D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
114845

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sulfur monoxide

> <PUBCHEM_IUPAC_CAS_NAME>
sulfur monoxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
sulfur monoxide

> <PUBCHEM_IUPAC_NAME>
sulfur monoxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sulfur monoxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfur monoxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/OS/c1-2

> <PUBCHEM_IUPAC_INCHIKEY>
XTQHKBHJIVJGKJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
47.96698579

> <PUBCHEM_MOLECULAR_FORMULA>
OS

> <PUBCHEM_MOLECULAR_WEIGHT>
48.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=S

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=S

> <PUBCHEM_CACTVS_TPSA>
49.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
47.96698579

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <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

$$$$