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1000 69 7 | Cheminformatics

Chemical : Stannane, (butylthio)trimethyl-

Casrn : 1000-69-7

MolName : Stannane, (butylthio)trimethyl-

MolecularFormula : C7H18SSn

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

InChI : InChI=1S/C4H10S.3CH3.Sn/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;3*1H3;/q;;;;+1/p-1

InChIK : ZSEWTHPNDOIREW-UHFFFAOYSA-M

CanonicalSyTyLFy : dfdb2b2f57824962

TotalMolweight : 252.996

Molweight : 252.996

MonoisotopicMass : 254.01512

CLogP : 3.9738

CLogS : -2.304

TotalSurfaceArea : 134.81

Relative PSA : 0.12974

PolarSurfaceArea : 25.3

Druglikeness : -9.6969

Mutagenic : high

Tumorigenic : none

Reproductive Effective : low

Irritant : low

Nasty Functions : unwanted atom

Shape Index : 0.77778

Molecula Flexibility : 0.77427

Molecular Complexity : 0.40236

Fragments : 1

Non HAtoms : 9

NonCHAtoms : 2

Metal Atoms : 1

Electronegative Atoms : 1

Rotatable Bond : 4

Sp3Atoms : 8

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-73-2highnonenoneC6H8O2112.128-6.3422
1000-84-6nonenonehighC4H9NO87.1215-6.3779
1000-30-2nonenonehighC9H16O140.225-7.4662
100010-02-4nonenonenoneC14H23NO221.343-6.1109
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
1000-87-9nonenonenoneC7H1296.1723-2.6557
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100-39-0highhighnoneC7H7Br171.037-7.8241
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100-02-7nonenonenoneC6H5NO3139.11-7.5665
1000-44-8highhighlowC7H7Cl126.586-8.5908
100-62-9lownonenoneC7H7N105.14-1.1924
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100007-62-3nonenonehighC8H13NO139.197-8.1398
100-86-7nonenonenoneC10H14O150.22-2.4187
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000269-66-8nonenonenoneC12H20N4220.3190.5423
1000-82-4lowhighhighC2H6N2O290.08160.41759
017257-81-7nonenonenoneC6H10O2114.1430.9106
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-56-1highlowlowC6H5ClHg313.149-2.3575
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100-45-8nonenonehighC7H9N107.155-10.018
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100-21-0highnonehighC8H6O4166.132-1.8442
100-51-6highhighhighC7H8O108.14-2.2456