Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

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
100019-40-7nonenonenoneC14H15NO3245.277-1.947
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100-76-5nonenonehighC7H13N111.1873.5517
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100004-54-4nonehighnoneC4H8Te183.708-3.9699
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000-69-7highnonelowC7H18SSn252.996-9.6969
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-44-7highhighnoneC7H7Cl126.586-2.365
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100-83-4highnonelowC7H6O2122.123-4.1407
100-69-6nonenonenoneC7H7N105.14-4.4598
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100-52-7highhighhighC7H6O106.124-4.225
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100-81-2nonenonenoneC8H11N121.182-2.1005
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100009-23-2nonenonehighC17H22226.362-9.7346
100011-00-5nonenonenoneC15H24O2236.354-18.044
100-06-1nonenonenoneC9H10O2150.176-1.6836
100-68-5nonenonenoneC7H8S124.207-1.735
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000-63-1nonenonehighC8H18O130.23-19.78
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-50-5nonenonehighC7H10O110.155-9.6048
100009-92-5nonenonenoneC20H23NO4341.4064.6216