1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate

C141H172O11S7+6 — CID 157363740

About 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate

1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate (PubChem CID 157363740) has the molecular formula C141H172O11S7+6 and a molecular weight of 2267.38 g/mol. Its IUPAC name is 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate
• PubChem CID: 157363740
• Molecular Formula: C141H172O11S7+6
• Molecular Weight: 2267.38 g/mol
• Exact Mass: 2265.09
• IUPAC Name: 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate
• SMILES: CC(=O)c1ccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c2c1.CC(=O)c1ccc2c([S+]3CCCC3)c(OC3CCCCCC3)ccc2c1.COC(=O)c1cc([S+]2CCCC2)c2ccccc2c1OCC1CCCCC1.CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1
• InChI: InChI=1S/C33H31OS.C23H29O3S.2C23H29O2S.C22H29O3S2.C17H25S/c1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-25-23(24)20-15-21(27-13-7-8-14-27)18-11-5-6-12-19(18)22(20)26-16-17-9-3-2-4-10-17;1-17(24)18-10-11-20-21(16-18)23(26-14-6-3-7-15-26)13-12-22(20)25-19-8-4-2-5-9-19;1-17(24)18-10-12-21-19(16-18)11-13-22(23(21)26-14-6-7-15-26)25-20-8-4-2-3-5-9-20;1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18/h4-7,10-23,25H,1-3,8-9,24H2;5-6,11-12,15,17H,2-4,7-10,13-14,16H2,1H3;10-13,16,19H,2-9,14-15H2,1H3;10-13,16,20H,2-9,14-15H2,1H3;8,11-14,17H,2-7,9-10,15-16H2,1H3;8-11,15H,1-7,12-14H2/q6*+1
• InChIKey: BIXZTAQTPWKLOT-UHFFFAOYSA-N
• XLogP: 35.93
• TPSA: 140.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.38
LogP ≤ 5	35.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate?

The IUPAC name of 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate (CID 157363740) is 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate.

What is the SMILES notation for 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate?

The canonical SMILES for 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate is CC(=O)c1ccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c2c1.CC(=O)c1ccc2c([S+]3CCCC3)c(OC3CCCCCC3)ccc2c1.COC(=O)c1cc([S+]2CCCC2)c2ccccc2c1OCC1CCCCC1.CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1.

What is the InChIKey of 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate?

The InChIKey is BIXZTAQTPWKLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31OS.C23H29O3S.2C23H29O2S.C22H29O3S2.C17H25S/c1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-25-23(24)20-15-21(27-13-7-8-14-27)18-11-5-6-12-19(18)22(20)26-16-17-9-3-2-4-10-17;1-17(24)18-10-11-20-21(16-18)23(26-14-6-3-7-15-26)13-12-22(20)25-19-8-4-2-5-9-19;1-17(24)18-10-12-21-19(16-18)11-13-22(23(21)26-14-6-7-15-26)25-20-8-4-2-3-5-9-20;1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18/h4-7,10-23,25H,1-3,8-9,24H2;5-6,11-12,15,17H,2-4,7-10,13-14,16H2,1H3;10-13,16,19H,2-9,14-15H2,1H3;10-13,16,20H,2-9,14-15H2,1H3;8,11-14,17H,2-7,9-10,15-16H2,1H3;8-11,15H,1-7,12-14H2/q6*+1.

What are the key properties of 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate?

1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate has a molecular weight of 2267.38 g/mol, XLogP of 35.93, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(cyclohexylmethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 157363740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).