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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
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100-57-2highlowlowC6H6OHg294.703-2.3891
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100-49-2nonenonenoneC7H14O114.187-9.3679
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-13-0nonenonelowC8H7NO2149.149-10.212
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-41-4highhighhighC8H10106.167-2.68
1000-28-8nonenonenoneC6H3OF11300.067-44.343
1000-87-9nonenonenoneC7H1296.1723-2.6557
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
10001-30-6nonenonenoneC17H14O4282.294-0.8408
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100-48-1nonenonenoneC6H4N2104.112-6.0498
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100012-67-7highhighhighC12H12O5236.222-19.846
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-18-5nonenonenoneC12H18162.275-2.5088
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000-44-8highhighlowC7H7Cl126.586-8.5908
100011-00-5nonenonenoneC15H24O2236.354-18.044
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-09-4nonenonenoneC8H8O3152.149-1.597
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100-28-7highlowlowC7H4N2O3164.12-21.552