17607
 OpenBabel05082101102D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
17607

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
85.3

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sulfuryl fluoride

>  <PUBCHEM_IUPAC_CAS_NAME>
sulfuryl difluoride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sulfuryl difluoride

>  <PUBCHEM_IUPAC_NAME>
sulfuryl difluoride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sulfuryl difluoride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfuryl fluoride

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/F2O2S/c1-5(2,3)4

>  <PUBCHEM_IUPAC_INCHIKEY>
OBTWBSRJZRCYQV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0.7

>  <PUBCHEM_EXACT_MASS>
101.958707

>  <PUBCHEM_MOLECULAR_FORMULA>
F2O2S

>  <PUBCHEM_MOLECULAR_WEIGHT>
102.06

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

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

>  <PUBCHEM_CACTVS_TPSA>
42.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
101.958707

>  <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

$$$$
