100005 01 4 | Cheminformatics

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

Formula:C8H21BrSSi2 CAS:100005-01-4

PropertyValue
Casrn100005-01-4
MolNameSilane, [bromo[[(trimethylsilyl)methyl]thio]methyl]trimethyl-
MolecularFormulaC8H21BrSSi2
SmilesC[Si](C)(C)CSC([Si](C)(C)C)Br
InChIInChI=1S/C8H21BrSSi2/c1-11(2,3)7-10-8(9)12(4,5)6/h8H,7H2,1-6H3/t8-/m1/s1
InChIKQEOLWANZCSVCDV-MRVPVSSYSA-N
CanonicalSyTyLFy72fc50c62053f790
TotalMolweight285.397
Molweight285.397
MonoisotopicMass284.008585
CLogP5.2316
CLogS-1.736
TotalSurfaceArea176.44
Relative PSA0.099127
PolarSurfaceArea25.3
Druglikeness-52.815
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionssec./tert. alkyl-bromide/iodide
Shape Index0.58333
Molecula Flexibility0.84772
Molecular Complexity0.47958
Fragments1
Non HAtoms12
NonCHAtoms4
Electronegative Atoms2
StereoCenters1
Rotatable Bond4
Sp3Atoms9
Symmetricatoms4
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-07-2highhighlowC8H7O2Cl170.595-10.49
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100005-12-7nonenonelowC11H10NCl191.662.2675
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-87-8nonenonenoneC7H8O3S172.204-10.732
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000-84-6nonenonehighC4H9NO87.1215-6.3779
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-52-7highhighhighC7H6O106.124-4.225
100-10-7nonehighhighC9H11NO149.192-1.8715
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100-66-3highnonehighC7H8O108.14-2.0846
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000-78-8highlownoneC11H24N2184.326-10.254
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-63-0highhighnoneC6H8N2108.144-4.3224
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100009-23-2nonenonehighC17H22226.362-9.7346
100-86-7nonenonenoneC10H14O150.22-2.4187
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-55-0nonenonenoneC6H7NO109.128-1.9045
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000284-35-4nonenonehighC16H24O4280.363-11.936
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-68-5nonenonenoneC7H8S124.207-1.735
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100-48-1nonenonenoneC6H4N2104.112-6.0498
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-40-3nonenonehighC8H12108.183-9.1684
100-74-3highnonehighC6H13NO115.1753.7593
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000-40-4highnonelowC10H24S2Sn327.143-7.0269