Mrv0541 02241205072D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Sn  0  0  0  0  0  4  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
M  END
> <DATABASE_ID>
T3D1244

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[SnH3]

> <INCHI_IDENTIFIER>
InChI=1S/C4H9.Sn.H/c1-3-4-2;;/h1,3-4H2,2H3;;

> <INCHI_KEY>
XWXSKXBXZLVYEO-UHFFFAOYSA-N

> <FORMULA>
C4H12Sn

> <MOLECULAR_WEIGHT>
178.85

> <EXACT_MASS>
179.996096955

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.212380232365117

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
butylstannane

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
-0.13509999999999966

> <ALOGPS_LOGS>
-0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
21.871899999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.19e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
butyltin

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1244

> <NAME>
Monobutyltin hydride

> <CAS>
2406-65-7

> <SYNONYMS>
Butylstannane; Butyltin; Butyltin trihydride; MBT; sn(Bu)H3; [sn(Bu)H3]

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

$$$$