2-(hydroxysulfanylmethyl)-1-methoxynaphthalene

C₁₂H₁₂O₂S — CID 166953563

About 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene

2-(hydroxysulfanylmethyl)-1-methoxynaphthalene (PubChem CID 166953563) has the molecular formula C₁₂H₁₂O₂S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene.

Molecular Properties

• Compound Name: 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
• PubChem CID: 166953563
• Molecular Formula: C₁₂H₁₂O₂S
• Molecular Weight: 220.29 g/mol
• Exact Mass: 220.06
• IUPAC Name: 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
• SMILES: COc1c(CSO)ccc2ccccc12
• InChI: InChI=1S/C12H12O2S/c1-14-12-10(8-15-13)7-6-9-4-2-3-5-11(9)12/h2-7,13H,8H2,1H3
• InChIKey: GNIUZPUZDJQUTR-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.29
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?

The IUPAC name of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene (CID 166953563) is 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene.

What is the SMILES notation for 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?

The canonical SMILES for 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene is COc1c(CSO)ccc2ccccc12.

What is the InChIKey of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?

The InChIKey is GNIUZPUZDJQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-14-12-10(8-15-13)7-6-9-4-2-3-5-11(9)12/h2-7,13H,8H2,1H3.

What are the key properties of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?

2-(hydroxysulfanylmethyl)-1-methoxynaphthalene has a molecular weight of 220.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene is sourced from PubChem (CID 166953563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166953563 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.