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

1000 57 3 | Cheminformatics

Chemical : Trimethyl(propylsulfanyl)stannane

Casrn : 1000-57-3

MolName : Trimethyl(propylsulfanyl)stannane

MolecularFormula : C6H16SSn

Smiles : CCCS[Sn](C)(C)C

InChI : InChI=1S/C3H8S.3CH3.Sn/c1-2-3-4;;;;/h4H,2-3H2,1H3;3*1H3;/q;;;;+1/p-1

InChIK : XSHHHXXCASXJAZ-UHFFFAOYSA-M

CanonicalSyTyLFy : db5bccfaf746b45a

TotalMolweight : 238.969

Molweight : 238.969

MonoisotopicMass : 239.99947

CLogP : 3.5194

CLogS : -2.034

TotalSurfaceArea : 121.05

Relative PSA : 0.14449

PolarSurfaceArea : 25.3

Druglikeness : -7.4261

Mutagenic : high

Tumorigenic : none

Reproductive Effective : low

Irritant : low

Nasty Functions : unwanted atom

Shape Index : 0.75

Molecula Flexibility : 0.80735

Molecular Complexity : 0.53648

Fragments : 1

Non HAtoms : 8

NonCHAtoms : 2

Metal Atoms : 1

Electronegative Atoms : 1

Rotatable Bond : 3

Sp3Atoms : 7

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100007-54-3nonenonenoneC28H30O13574.533-1.9839
1000000-13-4highhighhighC21H28O12472.441-0.17986
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100010-99-9nonenonenoneC11H24O2188.31-23.185
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
100-29-8nonenonenoneC8H9NO3167.163-8.928
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100008-36-4nonenonenoneC17H22O2258.36-5.6379
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-76-5nonenonehighC7H13N111.1873.5517
100-47-0highnonehighC7H5N103.124-6.0498
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100020-94-8highnonelowC12H17OCl212.719-11.962
100007-67-8highnonelowC5H7OClF2156.559-12.702
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-41-4highhighhighC8H10106.167-2.68
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
10003-67-5nonenonenoneC33H62O6554.849-22.973
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000-44-8highhighlowC7H7Cl126.586-8.5908
100-38-9nonenonehighC6H15NS133.2580.17671
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100033-28-1lownonehighC6H9N7179.186-2.3035
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-70-9nonenonenoneC6H4N2104.112-6.0498
100-10-7nonehighhighC9H11NO149.192-1.8715
1000-69-7highnonelowC7H18SSn252.996-9.6969
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-49-2nonenonenoneC7H14O114.187-9.3679
100-46-9nonenonenoneC7H9N107.155-2.0712
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574