2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium

C146H170F10O24S10 — CID 158599821

About 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium

2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium (PubChem CID 158599821) has the molecular formula C146H170F10O24S10 and a molecular weight of 2819.59 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium.

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
• PubChem CID: 158599821
• Molecular Formula: C146H170F10O24S10
• Molecular Weight: 2819.59 g/mol
• Exact Mass: 2816.91
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
• SMILES: CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc2ccccc2c1)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+]2CCCC2)c2ccccc12.C[S+](c1ccccc1)C1CCCCC1.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H23S.C18H23OS.C18H15S.C14H20F2O5S.C14H12F2O5S.C14H18F2O4S.C13H18F2O5S.C13H19S.C12H15OS.C8H12F2O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(14(15,16)22(18,19)20)21-12(17)13-5-9-2-10(6-13)4-11(3-9)7-13;1-9(14(15,16)22(18,19)20)21-13(17)12-7-6-10-4-2-3-5-11(10)8-12;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5/h4-17H,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;8-11H,2-7H2,1H3,(H,18,19,20);2-9H,1H3,(H,18,19,20);6-12H,1-5H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);2,4-5,8-9,13H,3,6-7,10-11H2,1H3;1-3,6-7H,4-5,8-10H2;5-7H,1-4H2,(H,11,12,13)/q3*+1;;;;;2*+1;/p-5
• InChIKey: HVMOFWXSGFUEMU-UHFFFAOYSA-I
• XLogP: 31.81
• TPSA: 408.27 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2819.59
LogP ≤ 5	31.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium (CID 158599821) is 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium.

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc2ccccc2c1)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+]2CCCC2)c2ccccc12.C[S+](c1ccccc1)C1CCCCC1.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?

The InChIKey is HVMOFWXSGFUEMU-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H23S.C18H23OS.C18H15S.C14H20F2O5S.C14H12F2O5S.C14H18F2O4S.C13H18F2O5S.C13H19S.C12H15OS.C8H12F2O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(14(15,16)22(18,19)20)21-12(17)13-5-9-2-10(6-13)4-11(3-9)7-13;1-9(14(15,16)22(18,19)20)21-13(17)12-7-6-10-4-2-3-5-11(10)8-12;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5/h4-17H,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;8-11H,2-7H2,1H3,(H,18,19,20);2-9H,1H3,(H,18,19,20);6-12H,1-5H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);2,4-5,8-9,13H,3,6-7,10-11H2,1H3;1-3,6-7H,4-5,8-10H2;5-7H,1-4H2,(H,11,12,13)/q3*+1;;;;;2*+1;/p-5.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?

2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium has a molecular weight of 2819.59 g/mol, XLogP of 31.81, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium is sourced from PubChem (CID 158599821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).