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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
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-55-0nonenonenoneC6H7NO109.128-1.9045
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-62-9lownonenoneC7H7N105.14-1.1924
100-40-3nonenonehighC8H12108.183-9.1684
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100020-95-9highnonelowC12H17OCl212.719-11.962
100005-12-7nonenonelowC11H10NCl191.662.2675
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000-41-5nonenonelowC10H18O154.252-9.05
100011-00-5nonenonenoneC15H24O2236.354-18.044
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
1000-30-2nonenonehighC9H16O140.225-7.4662
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-29-8nonenonenoneC8H9NO3167.163-8.928
100-74-3highnonehighC6H13NO115.1753.7593
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100-20-9highnonelowC8H4O2Cl2203.024-10.706
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-69-6nonenonenoneC7H7N105.14-4.4598
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100020-94-8highnonelowC12H17OCl212.719-11.962
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-81-2nonenonenoneC8H11N121.182-2.1005
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100-21-0highnonehighC8H6O4166.132-1.8442
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100009-23-2nonenonehighC17H22226.362-9.7346
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100-93-6highhighhighC19H18N2O2S338.43-12.848