4-methoxynaphthalene-1,6-dithiol

C11H10OS2 — CID 23290288

IUPAC4-methoxynaphthalene-1,6-dithiol
SMILESCOc1ccc(S)c2ccc(S)cc12
InChIInChI=1S/C11H10OS2/c1-12-10-4-5-11(14)8-3-2-7(13)6-9(8)10/h2-6,13-14H,1H3
InChIKeyOVMJWSBFYVQHQC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.43
Rot. Bonds1

About 4-methoxynaphthalene-1,6-dithiol

4-methoxynaphthalene-1,6-dithiol (PubChem CID 23290288) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxynaphthalene-1,6-dithiol.

Molecular Properties

Compound Name4-methoxynaphthalene-1,6-dithiol
PubChem CID23290288
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Name4-methoxynaphthalene-1,6-dithiol
SMILESCOc1ccc(S)c2ccc(S)cc12
InChIInChI=1S/C11H10OS2/c1-12-10-4-5-11(14)8-3-2-7(13)6-9(8)10/h2-6,13-14H,1H3
InChIKeyOVMJWSBFYVQHQC-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxynaphthalene-1,6-dithiol?
The IUPAC name of 4-methoxynaphthalene-1,6-dithiol (CID 23290288) is 4-methoxynaphthalene-1,6-dithiol.
What is the SMILES notation for 4-methoxynaphthalene-1,6-dithiol?
The canonical SMILES for 4-methoxynaphthalene-1,6-dithiol is COc1ccc(S)c2ccc(S)cc12.
What is the InChIKey of 4-methoxynaphthalene-1,6-dithiol?
The InChIKey is OVMJWSBFYVQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c1-12-10-4-5-11(14)8-3-2-7(13)6-9(8)10/h2-6,13-14H,1H3.
What are the key properties of 4-methoxynaphthalene-1,6-dithiol?
4-methoxynaphthalene-1,6-dithiol has a molecular weight of 222.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxynaphthalene-1,6-dithiol is sourced from PubChem (CID 23290288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).