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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1262

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/4CH3.Sn/h4*1H3;

> <INCHI_KEY>
VXKWYPOMXBVZSJ-UHFFFAOYSA-N

> <FORMULA>
C4H12Sn

> <MOLECULAR_WEIGHT>
178.85

> <EXACT_MASS>
179.996096955

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
11.560373233104354

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetramethylstannane

> <ALOGPS_LOGP>
1.37

> <JCHEM_LOGP>
3.522

> <ALOGPS_LOGS>
-1.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
22.1964

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.75e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetramethyltin

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1262

> <NAME>
Tetramethyltin

> <CAS>
594-27-4

> <SYNONYMS>
(CH3)4sn; SnMe4; Tetramethyl tin; Tetramethylstannane; Tin tetramethyl; [SnMe4]

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

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