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1000 69 7 | Cheminformatics

Chemical : Stannane, (butylthio)trimethyl-

Casrn : 1000-69-7

MolName : Stannane, (butylthio)trimethyl-

MolecularFormula : C7H18SSn

Smiles : CCCCS[Sn](C)(C)C

InChI : InChI=1S/C4H10S.3CH3.Sn/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;3*1H3;/q;;;;+1/p-1

InChIK : ZSEWTHPNDOIREW-UHFFFAOYSA-M

CanonicalSyTyLFy : dfdb2b2f57824962

TotalMolweight : 252.996

Molweight : 252.996

MonoisotopicMass : 254.01512

CLogP : 3.9738

CLogS : -2.304

TotalSurfaceArea : 134.81

Relative PSA : 0.12974

PolarSurfaceArea : 25.3

Druglikeness : -9.6969

Mutagenic : high

Tumorigenic : none

Reproductive Effective : low

Irritant : low

Nasty Functions : unwanted atom

Shape Index : 0.77778

Molecula Flexibility : 0.77427

Molecular Complexity : 0.40236

Fragments : 1

Non HAtoms : 9

NonCHAtoms : 2

Metal Atoms : 1

Electronegative Atoms : 1

Rotatable Bond : 4

Sp3Atoms : 8

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-92-5nonenonenoneC11H17N163.2631.1672
100-68-5nonenonenoneC7H8S124.207-1.735
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100-41-4highhighhighC8H10106.167-2.68
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-13-0nonenonelowC8H7NO2149.149-10.212
100005-12-7nonenonelowC11H10NCl191.662.2675
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000-78-8highlownoneC11H24N2184.326-10.254
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-75-4highhighhighC5H10N2O114.147-0.86877
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-66-3highnonehighC7H8O108.14-2.0846
100-51-6highhighhighC7H8O108.14-2.2456
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-28-7highlowlowC7H4N2O3164.12-21.552
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100-65-2highnonenoneC6H7NO109.128-1.548
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100-09-4nonenonenoneC8H8O3152.149-1.597
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100-48-1nonenonenoneC6H4N2104.112-6.0498
100-22-1highhighnoneC10H16N2164.2510.40939
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-86-7nonenonenoneC10H14O150.22-2.4187
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000-30-2nonenonehighC9H16O140.225-7.4662
100033-28-1lownonehighC6H9N7179.186-2.3035