Mrv1572004161622042D          

  6  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    2.6518   -1.6500    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 Sb  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   4  -1   5  -1   6   2
M  END
> <DATABASE_ID>
CHEM001637

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.C.[SbH3++].[I-].[I-]

> <INCHI_IDENTIFIER>
InChI=1S/3CH4.2HI.Sb.3H/h3*1H4;2*1H;;;;/q;;;;;+2;;;/p-2

> <INCHI_KEY>
AEWLEXPNZAADIO-UHFFFAOYSA-L

> <FORMULA>
C3H15I2Sb

> <MOLECULAR_WEIGHT>
426.722

> <EXACT_MASS>
425.83013

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ⁵-antimony(2+) ion tris(methane) diiodide

> <ALOGPS_LOGP>
1.89

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.3468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ⁵-antimony(2+) ion tris(methane) diiodide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1890

> <NAME>
Trimethylantimony diiodide

> <CAS>
13077-53-7

> <SYNONYMS>
DIIodo(trimethyl)stiborane; Diiodo(trimethyl)stiborane; DIIodotrimethyl antimony; TrimethyldIIodoantimony

> <TYPES>
Organic Compound; Antimony Compound; Organometallic; Pollutant; Food Toxin; Synthetic Compound

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