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100005 01 4 | Cheminformatics

Chemical : Silane, [bromo[[(trimethylsilyl)methyl]thio]methyl]trimethyl-

Casrn : 100005-01-4

MolName : Silane, [bromo[[(trimethylsilyl)methyl]thio]methyl]trimethyl-

MolecularFormula : C8H21BrSSi2

Smiles : C[Si](C)(C)CSC([Si](C)(C)C)Br

InChI : InChI=1S/C8H21BrSSi2/c1-11(2,3)7-10-8(9)12(4,5)6/h8H,7H2,1-6H3/t8-/m1/s1

InChIK : QEOLWANZCSVCDV-MRVPVSSYSA-N

CanonicalSyTyLFy : 72fc50c62053f790

TotalMolweight : 285.397

Molweight : 285.397

MonoisotopicMass : 284.008585

CLogP : 5.2316

CLogS : -1.736

TotalSurfaceArea : 176.44

Relative PSA : 0.099127

PolarSurfaceArea : 25.3

Druglikeness : -52.815

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions : sec./tert. alkyl-bromide/iodide

Shape Index : 0.58333

Molecula Flexibility : 0.84772

Molecular Complexity : 0.47958

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 4

Electronegative Atoms : 2

StereoCenters : 1

Rotatable Bond : 4

Sp3Atoms : 9

Symmetricatoms : 4

StereoCon : racemate

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100033-28-1lownonehighC6H9N7179.186-2.3035
100-64-1highhighnoneC6H11NO113.159-6.4182
100-47-0highnonehighC7H5N103.124-6.0498
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-57-2highlowlowC6H6OHg294.703-2.3891
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100021-05-4nonenonenoneC21H28O2312.4510.95307
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-91-4nonenonehighC17H25NO3291.393.3475
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-99-2nonenonelowC12H27Al198.328-22.009
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-49-2nonenonenoneC7H14O114.187-9.3679
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100020-94-8highnonelowC12H17OCl212.719-11.962
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-44-7highhighnoneC7H7Cl126.586-2.365
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100-27-6lownonenoneC8H9NO3167.163-9.2735
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
100005-79-6nonenonenoneC12H9NS199.276-2.6106
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100008-36-4nonenonenoneC17H22O2258.36-5.6379
1000-30-2nonenonehighC9H16O140.225-7.4662
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100-63-0highhighnoneC6H8N2108.144-4.3224
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100011-00-5nonenonenoneC15H24O2236.354-18.044