Mrv0541 02241204342D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
M  END
> <DATABASE_ID>
T3D1239

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2CH3.2ClH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2

> <INCHI_KEY>
PKKGKUDPKRTKLJ-UHFFFAOYSA-L

> <FORMULA>
C2H6Cl2Sn

> <MOLECULAR_WEIGHT>
219.69

> <EXACT_MASS>
219.886852177

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
11.89835521485442

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichlorodimethylstannane

> <ALOGPS_LOGP>
1.78

> <JCHEM_LOGP>
-0.5776000000000003

> <ALOGPS_LOGS>
-1.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
24.164

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.65e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyltin dichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1239

> <NAME>
Dimethyltin dichloride

> <CAS>
753-73-1

> <SYNONYMS>
Dichloro(dimethyl)stannane; Dichlorodimethylstannane; Dichlorodimethyltin; Dimethyldichlorostannane; Dimethyldichlorotin; Dimethyltindichloride

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

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