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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
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-55-0nonenonenoneC6H7NO109.128-1.9045
100-75-4highhighhighC5H10N2O114.147-0.86877
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000-41-5nonenonelowC10H18O154.252-9.05
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-40-3nonenonehighC8H12108.183-9.1684
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100-47-0highnonehighC7H5N103.124-6.0498
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100033-28-1lownonehighC6H9N7179.186-2.3035
100-63-0highhighnoneC6H8N2108.144-4.3224
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100-38-9nonenonehighC6H15NS133.2580.17671
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100-69-6nonenonenoneC7H7N105.14-4.4598
1000-63-1nonenonehighC8H18O130.23-19.78
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-99-2nonenonelowC12H27Al198.328-22.009
100-51-6highhighhighC7H8O108.14-2.2456
1000303-67-2nonenonenoneC6H8N2O124.1432.717
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000-30-2nonenonehighC9H16O140.225-7.4662
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000-86-8nonenonenoneC7H1296.1723-10.397
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100004-93-1nonehighnoneC16H11NO2249.268-1.5746