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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
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100-55-0nonenonenoneC6H7NO109.128-1.9045
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-91-4nonenonehighC17H25NO3291.393.3475
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-50-5nonenonehighC7H10O110.155-9.6048
10-00-4nonenonenoneC28H34O8498.57-4.8409
100-09-4nonenonenoneC8H8O3152.149-1.597
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000-50-6nonenonehighC6H15ClSi150.724-84.768
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000-78-8highlownoneC11H24N2184.326-10.254
100-57-2highlowlowC6H6OHg294.703-2.3891
100-22-1highhighnoneC10H16N2164.2510.40939
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100010-21-7nonenonenoneC14H21NO219.327-4.2999
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000269-67-9nonenonenoneC13H22N4234.3460.99367
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
1000-30-2nonenonehighC9H16O140.225-7.4662
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-07-2highhighlowC8H7O2Cl170.595-10.49
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-69-6nonenonenoneC7H7N105.14-4.4598
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100004-54-4nonehighnoneC4H8Te183.708-3.9699
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100-41-4highhighhighC8H10106.167-2.68
100-79-8nonelownoneC6H12O3132.158-9.8672
100-81-2nonenonenoneC8H11N121.182-2.1005