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
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-49-2nonenonenoneC7H14O114.187-9.3679
100-51-6highhighhighC7H8O108.14-2.2456
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-68-5nonenonenoneC7H8S124.207-1.735
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000-83-5lowhighhighC2H6N2OS106.149-2.264
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100012-67-7highhighhighC12H12O5236.222-19.846
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000-78-8highlownoneC11H24N2184.326-10.254
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-99-2nonenonelowC12H27Al198.328-22.009
100-69-6nonenonenoneC7H7N105.14-4.4598
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-09-4nonenonenoneC8H8O3152.149-1.597
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-74-3highnonehighC6H13NO115.1753.7593
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-75-4highhighhighC5H10N2O114.147-0.86877
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100-47-0highnonehighC7H5N103.124-6.0498
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-39-0highhighnoneC7H7Br171.037-7.8241
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-83-4highnonelowC7H6O2122.123-4.1407
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000-41-5nonenonelowC10H18O154.252-9.05
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051