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 |
---|---|---|---|---|---|---|
10-31-2001 | none | none | none | C21H28NO6P | 421.428 | -10.542 |
100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
100004-54-4 | none | high | none | C4H8Te | 183.708 | -3.9699 |
100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 |
100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
1000-43-7 | high | high | high | C8H18Cl2Si | 213.223 | -31.848 |
10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
10002-97-8 | none | none | none | C18H30O2 | 278.434 | 0.24997 |
1000018-21-2 | none | none | none | C17H25N3O6S | 399.467 | -41.344 |
100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 |
100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 |
10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 |
1000284-35-4 | none | none | high | C16H24O4 | 280.363 | -11.936 |
100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
1000018-59-6 | none | none | low | C10H15O2BrS | 279.197 | -14.078 |
1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 |
1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 |
100007-55-4 | none | none | none | C35H39O19 | 763.676 | -1.2907 |
100021-81-6 | none | none | none | H3O4P.C20H42N2O | 326.566 | -22.282 |
100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 |
100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
1000339-55-8 | none | none | none | C9H7O2F3 | 204.147 | -12.197 |
100020-94-8 | high | none | low | C12H17OCl | 212.719 | -11.962 |
100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 |
100004-95-3 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
100-41-4 | high | high | high | C8H10 | 106.167 | -2.68 |
100027-90-5 | high | high | none | C20H26N2Cl2.HCl.HCl | 365.346 | 4.1664 |
1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
10002-06-9 | none | none | none | C10H8N3ClS | 237.714 | 2.0874 |
1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 |
1000-44-8 | high | high | low | C7H7Cl | 126.586 | -8.5908 |
100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 |
1000018-25-6 | none | none | none | C13H24N2O6S | 336.408 | -32.405 |
1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 |
100009-92-5 | none | none | none | C20H23NO4 | 341.406 | 4.6216 |
100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |
1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 |
100010-00-2 | none | none | none | C20H23NO5 | 357.405 | -3.7157 |
100-26-5 | none | none | none | C7H5NO4 | 167.12 | -1.5746 |
100009-99-2 | low | high | none | C21H25NO4 | 355.433 | 2.9337 |
100-70-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
1000-69-7 | high | none | low | C7H18SSn | 252.996 | -9.6969 |
1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
1000058-38-7 | none | none | none | C11H12N2O2 | 204.228 | -4.6529 |
1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 |
100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 |
100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 |
100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |