(4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol

C248H301F3O11S16+16 — CID 159951471

IUPAC(4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
SMILESCC(C)(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CCCCCC[SH+]c1ccc(OC(C)C)c2ccccc12.CCCCCC[SH+]c1ccc(OCC)c2ccccc12.CCCCC[SH+]c1ccc(OC(C)(C)C)c2ccccc12.CCCCC[SH+]c1ccc(OCC(F)(F)F)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCCC2)c2ccccc12.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2CCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc2c([S+]3CCCC3)cccc2c1.c1ccc2c([S+]3CCCCC3)cccc2c1
InChIInChI=1S/2C19H26OS.C18H23OS.C18H24OS.C17H19F3OS.C17H21OS.2C16H19OS.C15H17OS.C15H16OS.C15H17S.C14H14OS.C14H15S.C14H11S.C11H15S.C10H13S/c1-5-6-9-14-21-18-13-12-17(20-19(2,3)4)15-10-7-8-11-16(15)18;1-4-5-6-9-14-21-19-13-12-18(20-15(2)3)16-10-7-8-11-17(16)19;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-3-5-6-9-14-20-18-13-12-17(19-4-2)15-10-7-8-11-16(15)18;1-2-3-6-11-22-16-10-9-15(21-12-17(18,19)20)13-7-4-5-8-14(13)16;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-17-15-9-10-16(18-11-5-2-6-12-18)14-8-4-3-7-13(14)15;1-2-17-15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;16-14-8-9-15(17-10-4-1-5-11-17)13-7-3-2-6-12(13)14;1-4-11-16(12-5-1)15-10-6-8-13-7-2-3-9-14(13)15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-15;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-11/h7-8,10-13H,5-6,9,14H2,1-4H3;7-8,10-13,15H,4-6,9,14H2,1-3H3;4-5,8-11H,6-7,12-13H2,1-3H3;7-8,10-13H,3-6,9,14H2,1-2H3;4-5,7-10H,2-3,6,11-12H2,1H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;2*3-4,7-10H,2,5-6,11-12H2,1H3;2-3,6-9H,4-5,10-11H2,1H3;2-3,6-9H,1,4-5,10-11H2;2-3,6-10H,1,4-5,11-12H2;1-2,5-8H,3-4,9-10H2;1-2,5-9H,3-4,10-11H2;1-11H;1,3-4,7-8H,2,5-6,9-10H2;1-3,6-7H,4-5,8-9H2/q;;+1;;;4*+1;;+1;;4*+1/p+6
InChIKeyOCEAHDBPOJATBZ-UHFFFAOYSA-T
MW4028.19 g/mol
LogP66.24
Rot. Bonds48

About (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol

(4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol (PubChem CID 159951471) has the molecular formula C248H301F3O11S16+16 and a molecular weight of 4028.19 g/mol. Its IUPAC name is (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name(4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
PubChem CID159951471
Molecular FormulaC248H301F3O11S16+16
Molecular Weight4028.19 g/mol
Exact Mass4023.84
IUPAC Name(4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
SMILESCC(C)(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CCCCCC[SH+]c1ccc(OC(C)C)c2ccccc12.CCCCCC[SH+]c1ccc(OCC)c2ccccc12.CCCCC[SH+]c1ccc(OC(C)(C)C)c2ccccc12.CCCCC[SH+]c1ccc(OCC(F)(F)F)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCCC2)c2ccccc12.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2CCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc2c([S+]3CCCC3)cccc2c1.c1ccc2c([S+]3CCCCC3)cccc2c1
InChIInChI=1S/2C19H26OS.C18H23OS.C18H24OS.C17H19F3OS.C17H21OS.2C16H19OS.C15H17OS.C15H16OS.C15H17S.C14H14OS.C14H15S.C14H11S.C11H15S.C10H13S/c1-5-6-9-14-21-18-13-12-17(20-19(2,3)4)15-10-7-8-11-16(15)18;1-4-5-6-9-14-21-19-13-12-18(20-15(2)3)16-10-7-8-11-17(16)19;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-3-5-6-9-14-20-18-13-12-17(19-4-2)15-10-7-8-11-16(15)18;1-2-3-6-11-22-16-10-9-15(21-12-17(18,19)20)13-7-4-5-8-14(13)16;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-17-15-9-10-16(18-11-5-2-6-12-18)14-8-4-3-7-13(14)15;1-2-17-15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;16-14-8-9-15(17-10-4-1-5-11-17)13-7-3-2-6-12(13)14;1-4-11-16(12-5-1)15-10-6-8-13-7-2-3-9-14(13)15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-15;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-11/h7-8,10-13H,5-6,9,14H2,1-4H3;7-8,10-13,15H,4-6,9,14H2,1-3H3;4-5,8-11H,6-7,12-13H2,1-3H3;7-8,10-13H,3-6,9,14H2,1-2H3;4-5,7-10H,2-3,6,11-12H2,1H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;2*3-4,7-10H,2,5-6,11-12H2,1H3;2-3,6-9H,4-5,10-11H2,1H3;2-3,6-9H,1,4-5,10-11H2;2-3,6-10H,1,4-5,11-12H2;1-2,5-8H,3-4,9-10H2;1-2,5-9H,3-4,10-11H2;1-11H;1,3-4,7-8H,2,5-6,9-10H2;1-3,6-7H,4-5,8-9H2/q;;+1;;;4*+1;;+1;;4*+1/p+6
InChIKeyOCEAHDBPOJATBZ-UHFFFAOYSA-T
XLogP66.24
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds48
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004028.19
LogP ≤ 566.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The IUPAC name of (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol (CID 159951471) is (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol.
What is the SMILES notation for (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The canonical SMILES for (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol is CC(C)(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CCCCCC[SH+]c1ccc(OC(C)C)c2ccccc12.CCCCCC[SH+]c1ccc(OCC)c2ccccc12.CCCCC[SH+]c1ccc(OC(C)(C)C)c2ccccc12.CCCCC[SH+]c1ccc(OCC(F)(F)F)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCCC2)c2ccccc12.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2CCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc2c([S+]3CCCC3)cccc2c1.c1ccc2c([S+]3CCCCC3)cccc2c1.
What is the InChIKey of (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The InChIKey is OCEAHDBPOJATBZ-UHFFFAOYSA-T. The full InChI is InChI=1S/2C19H26OS.C18H23OS.C18H24OS.C17H19F3OS.C17H21OS.2C16H19OS.C15H17OS.C15H16OS.C15H17S.C14H14OS.C14H15S.C14H11S.C11H15S.C10H13S/c1-5-6-9-14-21-18-13-12-17(20-19(2,3)4)15-10-7-8-11-16(15)18;1-4-5-6-9-14-21-19-13-12-18(20-15(2)3)16-10-7-8-11-17(16)19;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-3-5-6-9-14-20-18-13-12-17(19-4-2)15-10-7-8-11-16(15)18;1-2-3-6-11-22-16-10-9-15(21-12-17(18,19)20)13-7-4-5-8-14(13)16;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-17-15-9-10-16(18-11-5-2-6-12-18)14-8-4-3-7-13(14)15;1-2-17-15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;16-14-8-9-15(17-10-4-1-5-11-17)13-7-3-2-6-12(13)14;1-4-11-16(12-5-1)15-10-6-8-13-7-2-3-9-14(13)15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-15;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-11/h7-8,10-13H,5-6,9,14H2,1-4H3;7-8,10-13,15H,4-6,9,14H2,1-3H3;4-5,8-11H,6-7,12-13H2,1-3H3;7-8,10-13H,3-6,9,14H2,1-2H3;4-5,7-10H,2-3,6,11-12H2,1H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;2*3-4,7-10H,2,5-6,11-12H2,1H3;2-3,6-9H,4-5,10-11H2,1H3;2-3,6-9H,1,4-5,10-11H2;2-3,6-10H,1,4-5,11-12H2;1-2,5-8H,3-4,9-10H2;1-2,5-9H,3-4,10-11H2;1-11H;1,3-4,7-8H,2,5-6,9-10H2;1-3,6-7H,4-5,8-9H2/q;;+1;;;4*+1;;+1;;4*+1/p+6.
What are the key properties of (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
(4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol has a molecular weight of 4028.19 g/mol, XLogP of 66.24, 48 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxynaphthalen-1-yl)-hexylsulfanium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;hexyl-(4-propan-2-yloxynaphthalen-1-yl)sulfanium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-pentylsulfanium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;pentyl-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]sulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol is sourced from PubChem (CID 159951471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).