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1000 57 3 | Cheminformatics

Chemical : Trimethyl(propylsulfanyl)stannane

Casrn : 1000-57-3

MolName : Trimethyl(propylsulfanyl)stannane

MolecularFormula : C6H16SSn

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

InChI : InChI=1S/C3H8S.3CH3.Sn/c1-2-3-4;;;;/h4H,2-3H2,1H3;3*1H3;/q;;;;+1/p-1

InChIK : XSHHHXXCASXJAZ-UHFFFAOYSA-M

CanonicalSyTyLFy : db5bccfaf746b45a

TotalMolweight : 238.969

Molweight : 238.969

MonoisotopicMass : 239.99947

CLogP : 3.5194

CLogS : -2.034

TotalSurfaceArea : 121.05

Relative PSA : 0.14449

PolarSurfaceArea : 25.3

Druglikeness : -7.4261

Mutagenic : high

Tumorigenic : none

Reproductive Effective : low

Irritant : low

Nasty Functions : unwanted atom

Shape Index : 0.75

Molecula Flexibility : 0.80735

Molecular Complexity : 0.53648

Fragments : 1

Non HAtoms : 8

NonCHAtoms : 2

Metal Atoms : 1

Electronegative Atoms : 1

Rotatable Bond : 3

Sp3Atoms : 7

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-45-8nonenonehighC7H9N107.155-10.018
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100-99-2nonenonelowC12H27Al198.328-22.009
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-53-8nonehighhighC7H8S124.207-6.3177
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-06-1nonenonenoneC9H10O2150.176-1.6836
100-57-2highlowlowC6H6OHg294.703-2.3891
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100012-67-7highhighhighC12H12O5236.222-19.846
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100-54-9nonenonenoneC6H4N2104.112-6.0498
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-65-2highnonenoneC6H7NO109.128-1.548
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-97-0highhighhighC6H12N4140.1891.5849
100-09-4nonenonenoneC8H8O3152.149-1.597
017257-81-7nonenonenoneC6H10O2114.1430.9106
10001-13-5nonenonehighC12H22N2O210.323.9217
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100010-21-7nonenonenoneC14H21NO219.327-4.2999
10000-51-8nonenonenoneC14H15NO3245.2770.10503
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10002-37-6nonenonenoneC9H16N2O168.239-3.8085