1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium

C175H189F3O13S10+10 — CID 160983260

IUPAC1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
SMILESCCCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCCC2)c2ccccc12.COCCOc1ccc([S+]2CCOCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/2C22H17S.C18H23O2S.C18H23OS.C17H21O3S.2C17H21O2S.C16H16F3OS.2C14H14OS/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-19-11-12-20-17-9-10-18(21-13-5-2-6-14-21)16-8-4-3-7-15(16)17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-18-8-9-20-16-6-7-17(21-12-10-19-11-13-21)15-5-3-2-4-14(15)16;2*1-18-10-11-19-16-8-9-17(20-12-4-5-13-20)15-7-3-2-6-14(15)16;17-16(18,19)11-20-14-7-8-15(21-9-3-4-10-21)13-6-2-1-5-12(13)14;2*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h2*1-17H;3-4,7-10H,2,5-6,11-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2-7H,8-13H2,1H3;2*2-3,6-9H,4-5,10-13H2,1H3;1-2,5-8H,3-4,9-11H2;2*1-2,5-8H,3-4,9-10H2/q8*+1;;/p+2
InChIKeySZUCNEVABKLIES-UHFFFAOYSA-P
MW2878.09 g/mol
LogP42.02
Rot. Bonds36

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium (PubChem CID 160983260) has the molecular formula C175H189F3O13S10+10 and a molecular weight of 2878.09 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium.

Molecular Properties

Compound Name1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
PubChem CID160983260
Molecular FormulaC175H189F3O13S10+10
Molecular Weight2878.09 g/mol
Exact Mass2875.12
IUPAC Name1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
SMILESCCCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCCC2)c2ccccc12.COCCOc1ccc([S+]2CCOCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/2C22H17S.C18H23O2S.C18H23OS.C17H21O3S.2C17H21O2S.C16H16F3OS.2C14H14OS/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-19-11-12-20-17-9-10-18(21-13-5-2-6-14-21)16-8-4-3-7-15(16)17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-18-8-9-20-16-6-7-17(21-12-10-19-11-13-21)15-5-3-2-4-14(15)16;2*1-18-10-11-19-16-8-9-17(20-12-4-5-13-20)15-7-3-2-6-14(15)16;17-16(18,19)11-20-14-7-8-15(21-9-3-4-10-21)13-6-2-1-5-12(13)14;2*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h2*1-17H;3-4,7-10H,2,5-6,11-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2-7H,8-13H2,1H3;2*2-3,6-9H,4-5,10-13H2,1H3;1-2,5-8H,3-4,9-11H2;2*1-2,5-8H,3-4,9-10H2/q8*+1;;/p+2
InChIKeySZUCNEVABKLIES-UHFFFAOYSA-P
XLogP42.02
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002878.09
LogP ≤ 542.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium?
The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium (CID 160983260) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium.
What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium?
The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium is CCCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCCC2)c2ccccc12.COCCOc1ccc([S+]2CCOCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium?
The InChIKey is SZUCNEVABKLIES-UHFFFAOYSA-P. The full InChI is InChI=1S/2C22H17S.C18H23O2S.C18H23OS.C17H21O3S.2C17H21O2S.C16H16F3OS.2C14H14OS/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-19-11-12-20-17-9-10-18(21-13-5-2-6-14-21)16-8-4-3-7-15(16)17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-18-8-9-20-16-6-7-17(21-12-10-19-11-13-21)15-5-3-2-4-14(15)16;2*1-18-10-11-19-16-8-9-17(20-12-4-5-13-20)15-7-3-2-6-14(15)16;17-16(18,19)11-20-14-7-8-15(21-9-3-4-10-21)13-6-2-1-5-12(13)14;2*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h2*1-17H;3-4,7-10H,2,5-6,11-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2-7H,8-13H2,1H3;2*2-3,6-9H,4-5,10-13H2,1H3;1-2,5-8H,3-4,9-11H2;2*1-2,5-8H,3-4,9-10H2/q8*+1;;/p+2.
What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium?
1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium has a molecular weight of 2878.09 g/mol, XLogP of 42.02, 36 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium is sourced from PubChem (CID 160983260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).