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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
100-44-7highhighnoneC7H7Cl126.586-2.365
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100020-34-6nonenonenoneC13H18S2238.418-0.23079
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100-64-1highhighnoneC6H11NO113.159-6.4182
100-47-0highnonehighC7H5N103.124-6.0498
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100009-92-5nonenonenoneC20H23NO4341.4064.6216
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-86-7nonenonenoneC10H14O150.22-2.4187
100012-67-7highhighhighC12H12O5236.222-19.846
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100-07-2highhighlowC8H7O2Cl170.595-10.49
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
1000-28-8nonenonenoneC6H3OF11300.067-44.343
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100018-96-0highhighnoneC20H39O2I438.428-31.232
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100-65-2highnonenoneC6H7NO109.128-1.548
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000-57-3highnonelowC6H16SSn238.969-7.4261
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-48-1nonenonenoneC6H4N2104.112-6.0498
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-62-9lownonenoneC7H7N105.14-1.1924
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100-97-0highhighhighC6H12N4140.1891.5849
100-39-0highhighnoneC7H7Br171.037-7.8241
100-99-2nonenonelowC12H27Al198.328-22.009
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000018-07-4nonenonenoneC14H13N3O239.2771.9531