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
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-40-3nonenonehighC8H12108.183-9.1684
100020-83-5nonenonelowC7H11O3B153.972-20.814
100-93-6highhighhighC19H18N2O2S338.43-12.848
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100010-99-9nonenonenoneC11H24O2188.31-23.185
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-55-0nonenonenoneC6H7NO109.128-1.9045
100-46-9nonenonenoneC7H9N107.155-2.0712
1000-63-1nonenonehighC8H18O130.23-19.78
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-79-8nonelownoneC6H12O3132.158-9.8672
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100020-94-8highnonelowC12H17OCl212.719-11.962
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100017-22-9highhighhighC5H8O2100.117-8.1063
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100-57-2highlowlowC6H6OHg294.703-2.3891
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-81-2nonenonenoneC8H11N121.182-2.1005
1000-41-5nonenonelowC10H18O154.252-9.05
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100011-00-5nonenonenoneC15H24O2236.354-18.044
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653