Mrv0541 02241205272D          

  6  5  0  0  0  0            999 V2000
    1.4924    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.7846    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1890

> <DATABASE_NAME>
t3db

> <SMILES>
C[Sb](C)(C)(I)I

> <INCHI_IDENTIFIER>
InChI=1S/3CH3.2HI.Sb/h3*1H3;2*1H;/q;;;;;+2/p-2

> <INCHI_KEY>
ZWMGLCRSQFTQAM-UHFFFAOYSA-L

> <FORMULA>
C3H9I2Sb

> <MOLECULAR_WEIGHT>
420.67

> <EXACT_MASS>
419.783180172

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
19.746039467226826

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diiodotrimethylstibane

> <ALOGPS_LOGP>
3.16

> <JCHEM_LOGP>
1.0528999999999995

> <ALOGPS_LOGS>
-3.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
44.5187

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.38e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diiodotrimethylstibane

> <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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