Mrv0541 10161416322D          

  5  1  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1886

> <DATABASE_NAME>
t3db

> <SMILES>
[SbH3].[SbH3].[SbH3].SS

> <INCHI_IDENTIFIER>
InChI=1S/H2S2.3Sb.9H/c1-2;;;;;;;;;;;;/h1-2H;;;;;;;;;;;;

> <INCHI_KEY>
QWYZQHXLQITOTI-UHFFFAOYSA-N

> <FORMULA>
H11S2Sb3

> <MOLECULAR_WEIGHT>
440.5

> <EXACT_MASS>
437.741670864

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
6.020973148021527

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dithioperoxol tristibane

> <JCHEM_LOGP>
1.0439596253333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.839964267389984

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.230151842008052

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.1116

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disulfane tristibane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1886

> <NAME>
Triantimony disulfide

> <CAS>
107373-21-7

> <SYNONYMS>
S2Sb3; Sb3S2

> <TYPES>
Inorganic Compound; Antimony Compound; Pollutant; Food Toxin; Synthetic Compound

$$$$