11324936
  -OEChem-05092409552D

 13 11  0     0  0  0  0  0  0999 V2000
    2.2690    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11324936

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAABAGBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAQAAAAAAACEQACCAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethanethiol;tribromoalumane

> <PUBCHEM_IUPAC_CAS_NAME>
ethanethiol;tribromoalumane

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethanethiol;tribromoalumane

> <PUBCHEM_IUPAC_NAME>
ethanethiol;tribromoalumane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethanethiol;tris(bromanyl)alumane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethanethiol;tribromoalumane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H6S.Al.3BrH/c1-2-3;;;;/h3H,2H2,1H3;;3*1H/q;+3;;;/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
PHXDCVTYGGAAKR-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
327.75352

> <PUBCHEM_MOLECULAR_FORMULA>
C2H6AlBr3S

> <PUBCHEM_MOLECULAR_WEIGHT>
328.83

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCS.[Al](Br)(Br)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCS.[Al](Br)(Br)Br

> <PUBCHEM_CACTVS_TPSA>
1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
325.75557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$