123296
  -OEChem-04252405102D

  4  3  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
123296

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAABgGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bromosulfanyl thiohypobromite

> <PUBCHEM_IUPAC_CAS_NAME>
thiohypobromous acid (bromothio) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
bromosulfanyl thiohypobromite

> <PUBCHEM_IUPAC_NAME>
bromosulfanyl thiohypobromite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bromanylsulfanyl thiohypobromite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
thiohypobromous acid (bromothio) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Br2S2/c1-3-4-2

> <PUBCHEM_IUPAC_INCHIKEY>
JIRDGEGGAWJQHQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
223.77877

> <PUBCHEM_MOLECULAR_FORMULA>
Br2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
223.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
S(SBr)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
S(SBr)Br

> <PUBCHEM_CACTVS_TPSA>
50.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
221.78082

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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

$$$$