Mrv0541 02241204342D          

 11 10  0  0  0  0            999 V2000
    3.5014    0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077    1.4289    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    0.6494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5778    2.2085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0873    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109    1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1141    1.9690    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1242

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sn](Cl)(Cl)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2

> <INCHI_KEY>
RJGHQTVXGKYATR-UHFFFAOYSA-L

> <FORMULA>
C8H18Cl2Sn

> <MOLECULAR_WEIGHT>
303.84

> <EXACT_MASS>
303.980752561

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
23.73525203942782

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dibutyldichlorostannane

> <ALOGPS_LOGP>
4.86

> <JCHEM_LOGP>
1.9664000000000006

> <ALOGPS_LOGS>
-3.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
51.7452

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.69e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibutyl dichloro tin

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1242

> <NAME>
Dibutyltin dichloride

> <CAS>
683-18-1

> <SYNONYMS>
Chlorid di-n-butylcinicity; DBTC dichloride; Di-n-butyltin dichloride; Dibutyl tin dichloride; Dibutyl-dichloro-stannane; Dibutyldichlorostannane; Dibutyldichlorotin; Dibutylstannium dichloride; Dibutyltin chloride; Dichlorodibutylstannane; Dichlorodibutyltin; Stannane, dibutyldichloro; Tin, dibutyl-, dichloride

> <TYPES>
Organic Compound; Tin Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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