N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium

C225H276F11IN10O43S24 — CID 159045748

IUPACN-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium
SMILESCC(=O)/N=C(\[O-])C(F)(F)F.CC(C)(C)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C(C)(C)C.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCS(=O)(=O)[N-]S(C)(=O)=O.COCCS(=O)(=O)[N-]S(C)(=O)=O.CS(=O)(=O)[N-]S(=O)(=O)C1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)CCOC1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)OC1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCC1.O=S(=O)(N=C([O-])C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1cccc2ccccc12.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25S.C22H30I.C20H19OS.C18H13S.C18H15S.C16H21OS.C14H21S.C13H17OS.C12H15OS.C10H8O3S.C9H18N2O4S2.C9H18NO5S2.C8HF8NO3S.C7H14NO5S2.C7H14NO4S2.C7H8NO4S2.C4H4F3NO2.C4H10NO5S2.C3H8NO4S2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(14-8-2-1-3-9-14)16(10-4-5-11-16)18-12-6-7-13-18;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-8(2,3)16(12,13)7(11-10)17(14,15)9(4,5)6;1-16(11,12)10-17(13,14)8-7-15-9-5-3-2-4-6-9;9-1-2(10)4(12)6(5(13)3(1)11)21(19,20)17-7(18)8(14,15)16;1-14(9,10)8-15(11,12)13-7-5-3-2-4-6-7;2*1-13(9,10)8-14(11,12)7-5-3-2-4-6-7;1-2(9)8-3(10)4(5,6)7;1-10-3-4-12(8,9)5-11(2,6)7;1-3-10(7,8)4-9(2,5)6/h2-3,6-9,12-20H,1,4-5,10-11H2;9-16H,7-8H2,1-6H3;3-16H,2H2,1H3;1-13H;1-15H;1-3,8-9H,4-7,10-13H2;6-9H,4-5,10-11H2,1-3H3;1,3-4,7-8H,2,5-6,9-11H2;1-3,6-7H,4-5,8-10H2;1-7H,(H,11,12,13);1-6H3;9H,2-8H2,1H3;(H,17,18);7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;1H3,(H,8,9,10);3-4H2,1-2H3;3H2,1-2H3/q9*+1;;;-1;;3*-1;;2*-1/p-3
InChIKeyJWPYWYGUJDGPGY-UHFFFAOYSA-K
MW4914.20 g/mol
LogP44.57
Rot. Bonds56

About N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium

N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium (PubChem CID 159045748) has the molecular formula C225H276F11IN10O43S24 and a molecular weight of 4914.20 g/mol. Its IUPAC name is N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium.

Molecular Properties

Compound NameN-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium
PubChem CID159045748
Molecular FormulaC225H276F11IN10O43S24
Molecular Weight4914.20 g/mol
Exact Mass4909.19
IUPAC NameN-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium
SMILESCC(=O)/N=C(\[O-])C(F)(F)F.CC(C)(C)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C(C)(C)C.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCS(=O)(=O)[N-]S(C)(=O)=O.COCCS(=O)(=O)[N-]S(C)(=O)=O.CS(=O)(=O)[N-]S(=O)(=O)C1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)CCOC1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)OC1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCC1.O=S(=O)(N=C([O-])C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1cccc2ccccc12.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25S.C22H30I.C20H19OS.C18H13S.C18H15S.C16H21OS.C14H21S.C13H17OS.C12H15OS.C10H8O3S.C9H18N2O4S2.C9H18NO5S2.C8HF8NO3S.C7H14NO5S2.C7H14NO4S2.C7H8NO4S2.C4H4F3NO2.C4H10NO5S2.C3H8NO4S2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(14-8-2-1-3-9-14)16(10-4-5-11-16)18-12-6-7-13-18;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-8(2,3)16(12,13)7(11-10)17(14,15)9(4,5)6;1-16(11,12)10-17(13,14)8-7-15-9-5-3-2-4-6-9;9-1-2(10)4(12)6(5(13)3(1)11)21(19,20)17-7(18)8(14,15)16;1-14(9,10)8-15(11,12)13-7-5-3-2-4-6-7;2*1-13(9,10)8-14(11,12)7-5-3-2-4-6-7;1-2(9)8-3(10)4(5,6)7;1-10-3-4-12(8,9)5-11(2,6)7;1-3-10(7,8)4-9(2,5)6/h2-3,6-9,12-20H,1,4-5,10-11H2;9-16H,7-8H2,1-6H3;3-16H,2H2,1H3;1-13H;1-15H;1-3,8-9H,4-7,10-13H2;6-9H,4-5,10-11H2,1-3H3;1,3-4,7-8H,2,5-6,9-11H2;1-3,6-7H,4-5,8-10H2;1-7H,(H,11,12,13);1-6H3;9H,2-8H2,1H3;(H,17,18);7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;1H3,(H,8,9,10);3-4H2,1-2H3;3H2,1-2H3/q9*+1;;;-1;;3*-1;;2*-1/p-3
InChIKeyJWPYWYGUJDGPGY-UHFFFAOYSA-K
XLogP44.57
TPSA866.34 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds56
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004914.20
LogP ≤ 544.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium with MolForge

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Related Compounds

2-(1-adamantyloxy)ethanesulfonate;2-(1-adamantyloxy)ethylsulfonyl-methylsulfonylazanide;1-adamantyloxysulfonyl(methylsulfonyl)azanide;benzenesulfonate;bis(methylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-(2-methyl-1-oxo-1-phenylpropan-2-yl)sulfanium;7,7-dimethyl-1-(methylsulfonylmethylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one;3,3-dimethyl-1-phenyl-2-(thiolan-1-ium-1-yl)butan-1-one;1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;N-methylsulfonylethanimidate;methylsulfonyl(naphthalen-2-ylsulfonyl)azanide;naphthalene-2-sulfonate;2,2,2-trifluoro-N-propylsulfonylethanimidate;pentakis(triphenylsulfanium);2,4,6-tri(propan-2-yl)benzenesulfonate
CID 158455360

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium?
The IUPAC name of N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium (CID 159045748) is N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium.
What is the SMILES notation for N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium?
The canonical SMILES for N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium is CC(=O)/N=C(\[O-])C(F)(F)F.CC(C)(C)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C(C)(C)C.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCS(=O)(=O)[N-]S(C)(=O)=O.COCCS(=O)(=O)[N-]S(C)(=O)=O.CS(=O)(=O)[N-]S(=O)(=O)C1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)CCOC1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)OC1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCC1.O=S(=O)(N=C([O-])C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1cccc2ccccc12.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium?
The InChIKey is JWPYWYGUJDGPGY-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H25S.C22H30I.C20H19OS.C18H13S.C18H15S.C16H21OS.C14H21S.C13H17OS.C12H15OS.C10H8O3S.C9H18N2O4S2.C9H18NO5S2.C8HF8NO3S.C7H14NO5S2.C7H14NO4S2.C7H8NO4S2.C4H4F3NO2.C4H10NO5S2.C3H8NO4S2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(14-8-2-1-3-9-14)16(10-4-5-11-16)18-12-6-7-13-18;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-8(2,3)16(12,13)7(11-10)17(14,15)9(4,5)6;1-16(11,12)10-17(13,14)8-7-15-9-5-3-2-4-6-9;9-1-2(10)4(12)6(5(13)3(1)11)21(19,20)17-7(18)8(14,15)16;1-14(9,10)8-15(11,12)13-7-5-3-2-4-6-7;2*1-13(9,10)8-14(11,12)7-5-3-2-4-6-7;1-2(9)8-3(10)4(5,6)7;1-10-3-4-12(8,9)5-11(2,6)7;1-3-10(7,8)4-9(2,5)6/h2-3,6-9,12-20H,1,4-5,10-11H2;9-16H,7-8H2,1-6H3;3-16H,2H2,1H3;1-13H;1-15H;1-3,8-9H,4-7,10-13H2;6-9H,4-5,10-11H2,1-3H3;1,3-4,7-8H,2,5-6,9-11H2;1-3,6-7H,4-5,8-10H2;1-7H,(H,11,12,13);1-6H3;9H,2-8H2,1H3;(H,17,18);7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;1H3,(H,8,9,10);3-4H2,1-2H3;3H2,1-2H3/q9*+1;;;-1;;3*-1;;2*-1/p-3.
What are the key properties of N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium?
N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium has a molecular weight of 4914.20 g/mol, XLogP of 44.57, 56 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,2,2-trifluoroethanimidate;benzenesulfonyl(methylsulfonyl)azanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;2-[tert-butylsulfonyl(diazo)methyl]sulfonyl-2-methylpropane;2-cyclohexyloxyethylsulfonyl(methylsulfonyl)azanide;cyclohexyloxysulfonyl(methylsulfonyl)azanide;(4-cyclohexylphenyl)-diphenylsulfanium;cyclohexylsulfonyl(methylsulfonyl)azanide;(4-ethoxyphenyl)-diphenylsulfanium;ethylsulfonyl(methylsulfonyl)azanide;2-methoxyethylsulfonyl(methylsulfonyl)azanide;naphthalene-1-sulfonate;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thian-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclopentyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,2,2-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)sulfonylethanimidate;triphenylsulfanium is sourced from PubChem (CID 159045748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).