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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
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-44-7highhighnoneC7H7Cl126.586-2.365
1000-84-6nonenonehighC4H9NO87.1215-6.3779
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-99-2nonenonelowC12H27Al198.328-22.009
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100010-99-9nonenonenoneC11H24O2188.31-23.185
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100-75-4highhighhighC5H10N2O114.147-0.86877
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100-76-5nonenonehighC7H13N111.1873.5517
100-27-6lownonenoneC8H9NO3167.163-9.2735
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100-86-7nonenonenoneC10H14O150.22-2.4187
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000-78-8highlownoneC11H24N2184.326-10.254
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100-06-1nonenonenoneC9H10O2150.176-1.6836
100-53-8nonehighhighC7H8S124.207-6.3177
100004-54-4nonehighnoneC4H8Te183.708-3.9699
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000339-32-1nonenonenoneC11H14NF179.2370.6275
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000000-13-4highhighhighC21H28O12472.441-0.17986
100018-96-0highhighnoneC20H39O2I438.428-31.232
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100-10-7nonehighhighC9H11NO149.192-1.8715
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916