Mrv1572004161621572D          

  5  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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -1.6500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.9464   -1.6500    0.0000 Sn  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  2   4  -1   5   1
M  END
> <DATABASE_ID>
CHEM001061

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.C.[Cl-].[SnH3+]

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

> <INCHI_KEY>
UUKKOODKCXPQCA-UHFFFAOYSA-M

> <FORMULA>
C3H15ClSn

> <MOLECULAR_WEIGHT>
205.31

> <EXACT_MASS>
205.98843

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
stannanylium tris(methane) chloride

> <ALOGPS_LOGP>
-0.39

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
-0.14

> <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>
1.12e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stannanylium tris(methane) chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1240

> <NAME>
Trimethyltin chloride

> <CAS>
1066-45-1

> <SYNONYMS>
Chloro(trimethyl)stannane; Chlorotrimethylstannane; Chlorotrimethyltin; Rimethyltin monochloride; Stannylium, trimethyl-, chloride; Tin(+), trimethyl-, chloride; Tin(1+), trimethyl-, chloride; Trimethylchlorostannane; Trimethylchlorotin; Trimethylstannyl chloride; Trimethyltin monochloride

> <TYPES>
Organic Compound; Pesticide; Tin Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound; Human Neurotoxin

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