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 Cl  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>
T3D1238

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3

> <INCHI_KEY>
YFRLQYJXUZRYDN-UHFFFAOYSA-K

> <FORMULA>
CH3Cl3Sn

> <MOLECULAR_WEIGHT>
240.1

> <EXACT_MASS>
239.832229788

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.069151400595487

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloro(methyl)stannane

> <ALOGPS_LOGP>
2.09

> <JCHEM_LOGP>
-0.43480000000000024

> <ALOGPS_LOGS>
-1.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
23.7342

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stannane, trichloromethyl-

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1238

> <NAME>
Monomethyltin trichloride

> <CAS>
993-16-8

> <SYNONYMS>
Methyltin trichloride; Methyltrichlorostannane; Methyltrichlorotin; Trichloro(methyl)stannane; Trichloromethylstannane; Trichloromethyltin

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

$$$$