2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol

C99H134O11S8+8 — CID 158117796

About 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol

2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol (PubChem CID 158117796) has the molecular formula C99H134O11S8+8 and a molecular weight of 1756.69 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol.

Molecular Properties

• Compound Name: 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol
• PubChem CID: 158117796
• Molecular Formula: C99H134O11S8+8
• Molecular Weight: 1756.69 g/mol
• Exact Mass: 1754.76
• IUPAC Name: 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol
• SMILES: CCCCc1cc([S+]2CCCC2)cc(CCCC)c1O.C[S+](C)c1ccc(O)c2ccc(O)cc12.C[S+](C)c1ccc(O)c2cccc(O)c12.Cc1cc([S+]2CCCC2)cc(C)c1O.Cc1cc([S+]2CCCC2C)cc(C)c1O.OCc1cc([S+]2CCCC2)cc(CO)c1O.Oc1ccc([S+]2CCCC2)cc1.c1ccc([S+]2CCCC2)cc1
• InChI: InChI=1S/C18H28OS.C13H18OS.C12H16O3S.2C12H12O2S.C12H16OS.C10H12OS.C10H13S/c1-3-5-9-15-13-17(20-11-7-8-12-20)14-16(18(15)19)10-6-4-2;1-9-7-12(8-10(2)13(9)14)15-6-4-5-11(15)3;13-7-9-5-11(16-3-1-2-4-16)6-10(8-14)12(9)15;1-15(2)12-6-5-11(14)9-4-3-8(13)7-10(9)12;1-15(2)11-7-6-9(13)8-4-3-5-10(14)12(8)11;1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-6-10(7-3-1)11-8-4-5-9-11/h13-14H,3-12H2,1-2H3;7-8,11H,4-6H2,1-3H3;5-6,13-14H,1-4,7-8H2;2*3-7H,1-2H3,(H-,13,14);7-8H,3-6H2,1-2H3;3-6H,1-2,7-8H2;1-3,6-7H,4-5,8-9H2/q;;;;;;;+1/p+7
• InChIKey: FRFQAZAKOPIXIH-UHFFFAOYSA-U
• XLogP: 21.54
• TPSA: 222.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.69
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	11
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 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol?

The IUPAC name of 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol (CID 158117796) is 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol.

What is the SMILES notation for 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol?

The canonical SMILES for 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol is CCCCc1cc([S+]2CCCC2)cc(CCCC)c1O.C[S+](C)c1ccc(O)c2ccc(O)cc12.C[S+](C)c1ccc(O)c2cccc(O)c12.Cc1cc([S+]2CCCC2)cc(C)c1O.Cc1cc([S+]2CCCC2C)cc(C)c1O.OCc1cc([S+]2CCCC2)cc(CO)c1O.Oc1ccc([S+]2CCCC2)cc1.c1ccc([S+]2CCCC2)cc1.

What is the InChIKey of 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol?

The InChIKey is FRFQAZAKOPIXIH-UHFFFAOYSA-U. The full InChI is InChI=1S/C18H28OS.C13H18OS.C12H16O3S.2C12H12O2S.C12H16OS.C10H12OS.C10H13S/c1-3-5-9-15-13-17(20-11-7-8-12-20)14-16(18(15)19)10-6-4-2;1-9-7-12(8-10(2)13(9)14)15-6-4-5-11(15)3;13-7-9-5-11(16-3-1-2-4-16)6-10(8-14)12(9)15;1-15(2)12-6-5-11(14)9-4-3-8(13)7-10(9)12;1-15(2)11-7-6-9(13)8-4-3-5-10(14)12(8)11;1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-6-10(7-3-1)11-8-4-5-9-11/h13-14H,3-12H2,1-2H3;7-8,11H,4-6H2,1-3H3;5-6,13-14H,1-4,7-8H2;2*3-7H,1-2H3,(H-,13,14);7-8H,3-6H2,1-2H3;3-6H,1-2,7-8H2;1-3,6-7H,4-5,8-9H2/q;;;;;;;+1/p+7.

What are the key properties of 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol?

2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol has a molecular weight of 1756.69 g/mol, XLogP of 21.54, 16 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;2,6-dibutyl-4-(thiolan-1-ium-1-yl)phenol;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol is sourced from PubChem (CID 158117796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).