(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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

C240H256F3N3O12S14+14 — CID 161429766

IUPAC(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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)(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.CCOc1ccc([S+]2CCCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.N#Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.N#Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=[N+]([O-])c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCCC2)c2ccccc12
InChIInChI=1S/C19H14F3S.2C19H14NS.C19H25OS.C18H14NO2S.2C18H23OS.2C17H21OS.2C16H19OS.C15H17OS.C15H16OS.C14H14OS/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;20-15-16-8-7-13-19(14-16)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-19(2,3)20-17-11-12-18(21-13-7-4-8-14-21)16-10-6-5-9-15(16)17;20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-14(2)19-17-10-11-18(20-12-6-3-7-13-20)16-9-5-4-8-15(16)17;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-2-18-16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(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;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-14H;2*1-14H;5-6,9-12H,4,7-8,13-14H2,1-3H3;1-14H;4-5,8-11H,6-7,12-13H2,1-3H3;4-5,8-11,14H,3,6-7,12-13H2,1-2H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-13H2,1H3;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;1-2,5-8H,3-4,9-10H2/q12*+1;;/p+2
InChIKeyVXVVTRAWLKSHMT-UHFFFAOYSA-P
MW3880.63 g/mol
LogP62.01
Rot. Bonds35

About (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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

(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 161429766) has the molecular formula C240H256F3N3O12S14+14 and a molecular weight of 3880.63 g/mol. Its IUPAC name is (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 CID161429766
Molecular FormulaC240H256F3N3O12S14+14
Molecular Weight3880.63 g/mol
Exact Mass3876.55
IUPAC Name(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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)(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.CCOc1ccc([S+]2CCCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.N#Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.N#Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=[N+]([O-])c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCCC2)c2ccccc12
InChIInChI=1S/C19H14F3S.2C19H14NS.C19H25OS.C18H14NO2S.2C18H23OS.2C17H21OS.2C16H19OS.C15H17OS.C15H16OS.C14H14OS/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;20-15-16-8-7-13-19(14-16)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-19(2,3)20-17-11-12-18(21-13-7-4-8-14-21)16-10-6-5-9-15(16)17;20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-14(2)19-17-10-11-18(20-12-6-3-7-13-20)16-9-5-4-8-15(16)17;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-2-18-16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(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;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-14H;2*1-14H;5-6,9-12H,4,7-8,13-14H2,1-3H3;1-14H;4-5,8-11H,6-7,12-13H2,1-3H3;4-5,8-11,14H,3,6-7,12-13H2,1-2H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-13H2,1H3;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;1-2,5-8H,3-4,9-10H2/q12*+1;;/p+2
InChIKeyVXVVTRAWLKSHMT-UHFFFAOYSA-P
XLogP62.01
TPSA205.02 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003880.63
LogP ≤ 562.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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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Related Compounds

(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-phenyl-2,3-dihydro-1-benzothiophen-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
CID 160697171
(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;dimethyl(phenyl)sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;methyl(diphenyl)sulfanium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-phenyl-1-benzothiophen-1-ium;1-phenyl-2,3-dihydro-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;4-(thian-1-ium-1-yl)naphthalen-1-ol
CID 159459503
(3,5-dimethylphenyl)-diphenylsulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-naphthalen-1-ylthian-1-ium;1-naphthalen-1-ylthiolan-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenyl-2,3-dihydro-1-benzothiophen-1-ium;1-phenylthian-1-ium;1-phenylthiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 163965951
1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium
CID 140816243
1-(4-butoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-propoxynaphthalen-1-yl)thian-1-ium
CID 160582295
2-(4-propan-2-ylphenyl)propan-2-yl 2-[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxyacetate
CID 169017537
(4-cyano-2-ethoxyphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8800017
(3-methyl-5-phenylpent-1-en-4-yn-3-yl) 2-[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxyacetate
CID 169051403
hexakis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 159088202
2-[2-(5-cyano-2-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11210307
1-ethoxy-4-(2-methylbutan-2-yl)naphthalene;2-ethoxy-1-(2-methylbutan-2-yl)naphthalene;3-ethoxy-1-(2-methylbutan-2-yl)naphthalene;1-methoxy-4-(2-methylbutan-2-yl)naphthalene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]naphthalene;1-(2-methylbutan-2-yl)-4-propan-2-yloxynaphthalene
CID 159150439
2-ethoxy-6-nitrophenol;4-methoxy-2-nitrophenol;2-nitro-4-(trifluoromethyl)phenol
CID 159416984

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 161429766) is (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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)(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.CCOc1ccc([S+]2CCCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.N#Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.N#Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=[N+]([O-])c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCCC2)c2ccccc12.
What is the InChIKey of (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 VXVVTRAWLKSHMT-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H14F3S.2C19H14NS.C19H25OS.C18H14NO2S.2C18H23OS.2C17H21OS.2C16H19OS.C15H17OS.C15H16OS.C14H14OS/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;20-15-16-8-7-13-19(14-16)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-19(2,3)20-17-11-12-18(21-13-7-4-8-14-21)16-10-6-5-9-15(16)17;20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-14(2)19-17-10-11-18(20-12-6-3-7-13-20)16-9-5-4-8-15(16)17;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-2-18-16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(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;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-14H;2*1-14H;5-6,9-12H,4,7-8,13-14H2,1-3H3;1-14H;4-5,8-11H,6-7,12-13H2,1-3H3;4-5,8-11,14H,3,6-7,12-13H2,1-2H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-13H2,1H3;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;1-2,5-8H,3-4,9-10H2/q12*+1;;/p+2.
What are the key properties of (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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?
(3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 3880.63 g/mol, XLogP of 62.01, 35 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)-diphenylsulfanium;(4-cyanophenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;(4-nitrophenyl)-diphenylsulfanium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-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 161429766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).