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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
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100033-28-1lownonehighC6H9N7179.186-2.3035
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100-48-1nonenonenoneC6H4N2104.112-6.0498
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-29-8nonenonenoneC8H9NO3167.163-8.928
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-44-7highhighnoneC7H7Cl126.586-2.365
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100020-83-5nonenonelowC7H11O3B153.972-20.814
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-99-2nonenonelowC12H27Al198.328-22.009
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
1000-41-5nonenonelowC10H18O154.252-9.05
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-73-2highnonenoneC6H8O2112.128-6.3422
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100-45-8nonenonehighC7H9N107.155-10.018
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100009-23-2nonenonehighC17H22226.362-9.7346
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-96-9highnonenoneC7H10N2O138.169-1.7412
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-10-7nonehighhighC9H11NO149.192-1.8715
100020-95-9highnonelowC12H17OCl212.719-11.962
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100-53-8nonehighhighC7H8S124.207-6.3177
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-70-9nonenonenoneC6H4N2104.112-6.0498
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-76-5nonenonehighC7H13N111.1873.5517
100-09-4nonenonenoneC8H8O3152.149-1.597
100-17-4nonenonenoneC7H7NO3153.137-7.2945