magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide

C43H35BrF14MgO7S4Si — CID 161082078

IUPACmagnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide
SMILESC[Si](C)(C)OS(=O)(=O)C(F)(F)F.Fc1cc[c-]cc1C(F)(F)F.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(c1ccccc1)c1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C19H13F4S.C12H10OS.C7H3F4.C4H9F3O3SSi.CHF3O3S.BrH.Mg/c20-18-12-11-16(13-17(18)19(21,22)23)24(14-7-3-1-4-8-14)15-9-5-2-6-10-15;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9,10)11;1-12(2,3)10-11(8,9)4(5,6)7;2-1(3,4)8(5,6)7;;/h1-13H;1-10H;2-4H;1-3H3;(H,5,6,7);1H;/q+1;;-1;;;;+2/p-2
InChIKeyTWLYEJBCSUKUDS-UHFFFAOYSA-L
MW1190.28 g/mol
LogP9.80
Rot. Bonds7

About magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide

magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide (PubChem CID 161082078) has the molecular formula C43H35BrF14MgO7S4Si and a molecular weight of 1190.28 g/mol. Its IUPAC name is magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide.

Molecular Properties

Compound Namemagnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide
PubChem CID161082078
Molecular FormulaC43H35BrF14MgO7S4Si
Molecular Weight1190.28 g/mol
Exact Mass1187.98
IUPAC Namemagnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide
SMILESC[Si](C)(C)OS(=O)(=O)C(F)(F)F.Fc1cc[c-]cc1C(F)(F)F.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(c1ccccc1)c1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C19H13F4S.C12H10OS.C7H3F4.C4H9F3O3SSi.CHF3O3S.BrH.Mg/c20-18-12-11-16(13-17(18)19(21,22)23)24(14-7-3-1-4-8-14)15-9-5-2-6-10-15;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9,10)11;1-12(2,3)10-11(8,9)4(5,6)7;2-1(3,4)8(5,6)7;;/h1-13H;1-10H;2-4H;1-3H3;(H,5,6,7);1H;/q+1;;-1;;;;+2/p-2
InChIKeyTWLYEJBCSUKUDS-UHFFFAOYSA-L
XLogP9.80
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.28
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide with MolForge

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Related Compounds

[(3-Methylphenyl)-diphenyl-lambda4-sulfanyl] 2,3,4,5,6-pentafluorobenzenesulfonate
CID 87483950
[4-[4-(2-Methylphenyl)iodoniophenyl]sulfanylphenyl]-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87706414
4-[4-[3,5-Bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylphenyl]phenyl]phenyl]sulfonyl-1-fluoro-2-methylbenzene
CID 132129420
[(4-Methylphenyl)-diphenyl-lambda4-sulfanyl] 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-sulfonate;(triphenyl-lambda4-sulfanyl) 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-sulfonate
CID 139958794
[Tris(4-methylphenyl)-diphenyl-lambda6-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 140204422
2-[4-(Benzenesulfonylmethyl)phenyl]ethyl-dimethoxy-methylsilane;dimethoxy-methyl-[2-[4-(methylsulfonylmethyl)phenyl]ethyl]silane;dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane;dimethoxy-methyl-[2-[4-(trifluoromethylsulfonylmethyl)phenyl]ethyl]silane
CID 157149994
Magnesium;thianthrene 5-oxide;trifluoromethanesulfonate;trifluoromethylbenzene;5-[3-(trifluoromethyl)phenyl]thianthren-5-ium;trimethylsilyl trifluoromethanesulfonate;bromide
CID 157172928
Bis(3-methylsulfanylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;bis(3-methylsulfonylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;bis(trifluoromethanesulfonate)
CID 157420748
[2-(2-Diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;2-(trifluoromethyl)benzenesulfonate
CID 157425956
Bis(3-ethylsulfonylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;bis(3-methylsulfonylphenyl)-[3-(trifluoromethyl)phenyl]sulfanium;(3,5-difluorophenyl)-bis(3-methylsulfonylphenyl)sulfanium;(3-fluorophenyl)-bis(3-methylsulfonylphenyl)sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis(3-propan-2-ylsulfonylphenyl)sulfanium
CID 158009715
Sodium;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;methanethiol;[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-diphenylsulfanium;bis(trifluoromethanesulfonate)
CID 158014794
Bis(3,5-difluoro-4-methylsulfonylphenyl)-phenylsulfanium;bis(2,4-difluorophenyl)-phenylsulfanium;bis(3-methylsulfonylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;tris(2,4-difluorophenyl)sulfanium
CID 158059716

Frequently Asked Questions

What is the IUPAC name of magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide?
The IUPAC name of magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide (CID 161082078) is magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide.
What is the SMILES notation for magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide?
The canonical SMILES for magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide is C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Fc1cc[c-]cc1C(F)(F)F.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(c1ccccc1)c1ccccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide?
The InChIKey is TWLYEJBCSUKUDS-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H13F4S.C12H10OS.C7H3F4.C4H9F3O3SSi.CHF3O3S.BrH.Mg/c20-18-12-11-16(13-17(18)19(21,22)23)24(14-7-3-1-4-8-14)15-9-5-2-6-10-15;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9,10)11;1-12(2,3)10-11(8,9)4(5,6)7;2-1(3,4)8(5,6)7;;/h1-13H;1-10H;2-4H;1-3H3;(H,5,6,7);1H;/q+1;;-1;;;;+2/p-2.
What are the key properties of magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide?
magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide has a molecular weight of 1190.28 g/mol, XLogP of 9.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide is sourced from PubChem (CID 161082078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).