2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium

C234H258F26O29S16 — CID 157292661

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CC1CC2C=CC1C2)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].C[S+](C)c1ccc(O)c2ccccc12.C[S+](C)c1ccc(O)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C1CC2CC1C1C3CCC(C3)C21.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2C=CC1C2.O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25OS.C22H23S.C20H17OS.C18H13S.C18H15S.C16H23F3O3S.2C16H21F3O3S.C15H18F6O3S.C12H12OS.C12H15OS.C11H15F3O3S.C9H10F4O3S.C9H14F2O3S.C8H12F2O3S.C8H10OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;3*1-15(16(17,18)19,23(20,21)22)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;16-13(17,14(18,19)15(20,21)25(22,23)24)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(11(12,13)14,18(15,16)17)6-9-5-7-2-3-8(9)4-7;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;10-9(11,15(12,13)14)5-8-4-6-1-2-7(8)3-6;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5;1-10(2)8-5-3-7(9)4-6-8/h2-3,6-9,12-20H,1,4-5,10-11H2;4-17H,1-3H3;1-12,21H,13-14H2;1-13H;1-15H;8-14H,2-7H2,1H3,(H,20,21,22);2*2-3,8-14H,4-7H2,1H3,(H,20,21,22);6-12H,1-5H2,(H,22,23,24);3-8H,1-2H3;1-3,6-7H,4-5,8-10H2;2-3,7-9H,4-6H2,1H3,(H,15,16,17);1-2,5-7H,3-4H2,(H,14,15,16);6-8H,1-5H2,(H,12,13,14);5-7H,1-4H2,(H,11,12,13);3-6H,1-2H3/q5*+1;;;;;;+1;;;;;/p-6
InChIKeyBAZFYWMBCGSYCY-UHFFFAOYSA-H
MW4541.63 g/mol
LogP56.93
Rot. Bonds44

About 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium

2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium (PubChem CID 157292661) has the molecular formula C234H258F26O29S16 and a molecular weight of 4541.63 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium
PubChem CID157292661
Molecular FormulaC234H258F26O29S16
Molecular Weight4541.63 g/mol
Exact Mass4537.38
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CC1CC2C=CC1C2)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].C[S+](C)c1ccc(O)c2ccccc12.C[S+](C)c1ccc(O)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C1CC2CC1C1C3CCC(C3)C21.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2C=CC1C2.O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25OS.C22H23S.C20H17OS.C18H13S.C18H15S.C16H23F3O3S.2C16H21F3O3S.C15H18F6O3S.C12H12OS.C12H15OS.C11H15F3O3S.C9H10F4O3S.C9H14F2O3S.C8H12F2O3S.C8H10OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;3*1-15(16(17,18)19,23(20,21)22)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;16-13(17,14(18,19)15(20,21)25(22,23)24)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(11(12,13)14,18(15,16)17)6-9-5-7-2-3-8(9)4-7;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;10-9(11,15(12,13)14)5-8-4-6-1-2-7(8)3-6;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5;1-10(2)8-5-3-7(9)4-6-8/h2-3,6-9,12-20H,1,4-5,10-11H2;4-17H,1-3H3;1-12,21H,13-14H2;1-13H;1-15H;8-14H,2-7H2,1H3,(H,20,21,22);2*2-3,8-14H,4-7H2,1H3,(H,20,21,22);6-12H,1-5H2,(H,22,23,24);3-8H,1-2H3;1-3,6-7H,4-5,8-10H2;2-3,7-9H,4-6H2,1H3,(H,15,16,17);1-2,5-7H,3-4H2,(H,14,15,16);6-8H,1-5H2,(H,12,13,14);5-7H,1-4H2,(H,11,12,13);3-6H,1-2H3/q5*+1;;;;;;+1;;;;;/p-6
InChIKeyBAZFYWMBCGSYCY-UHFFFAOYSA-H
XLogP56.93
TPSA544.59 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds44
Heavy Atoms305
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004541.63
LogP ≤ 556.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium (CID 157292661) is 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CC1CC2C=CC1C2)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].C[S+](C)c1ccc(O)c2ccccc12.C[S+](C)c1ccc(O)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C1CC2CC1C1C3CCC(C3)C21.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2C=CC1C2.O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium?
The InChIKey is BAZFYWMBCGSYCY-UHFFFAOYSA-H. The full InChI is InChI=1S/C24H25OS.C22H23S.C20H17OS.C18H13S.C18H15S.C16H23F3O3S.2C16H21F3O3S.C15H18F6O3S.C12H12OS.C12H15OS.C11H15F3O3S.C9H10F4O3S.C9H14F2O3S.C8H12F2O3S.C8H10OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;3*1-15(16(17,18)19,23(20,21)22)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;16-13(17,14(18,19)15(20,21)25(22,23)24)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(11(12,13)14,18(15,16)17)6-9-5-7-2-3-8(9)4-7;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;10-9(11,15(12,13)14)5-8-4-6-1-2-7(8)3-6;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5;1-10(2)8-5-3-7(9)4-6-8/h2-3,6-9,12-20H,1,4-5,10-11H2;4-17H,1-3H3;1-12,21H,13-14H2;1-13H;1-15H;8-14H,2-7H2,1H3,(H,20,21,22);2*2-3,8-14H,4-7H2,1H3,(H,20,21,22);6-12H,1-5H2,(H,22,23,24);3-8H,1-2H3;1-3,6-7H,4-5,8-10H2;2-3,7-9H,4-6H2,1H3,(H,15,16,17);1-2,5-7H,3-4H2,(H,14,15,16);6-8H,1-5H2,(H,12,13,14);5-7H,1-4H2,(H,11,12,13);3-6H,1-2H3/q5*+1;;;;;;+1;;;;;/p-6.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium?
2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium has a molecular weight of 4541.63 g/mol, XLogP of 56.93, 44 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium is sourced from PubChem (CID 157292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).