6-methoxysulfanylnaphthalen-2-ol

C11H10O2S — CID 54090378

IUPAC6-methoxysulfanylnaphthalen-2-ol
SMILESCOSc1ccc2cc(O)ccc2c1
InChIInChI=1S/C11H10O2S/c1-13-14-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3
InChIKeyMTLAADIPVZGWCF-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.20
Rot. Bonds2

About 6-methoxysulfanylnaphthalen-2-ol

6-methoxysulfanylnaphthalen-2-ol (PubChem CID 54090378) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-methoxysulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name6-methoxysulfanylnaphthalen-2-ol
PubChem CID54090378
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name6-methoxysulfanylnaphthalen-2-ol
SMILESCOSc1ccc2cc(O)ccc2c1
InChIInChI=1S/C11H10O2S/c1-13-14-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3
InChIKeyMTLAADIPVZGWCF-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxysulfanylnaphthalen-2-ol?
The IUPAC name of 6-methoxysulfanylnaphthalen-2-ol (CID 54090378) is 6-methoxysulfanylnaphthalen-2-ol.
What is the SMILES notation for 6-methoxysulfanylnaphthalen-2-ol?
The canonical SMILES for 6-methoxysulfanylnaphthalen-2-ol is COSc1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-methoxysulfanylnaphthalen-2-ol?
The InChIKey is MTLAADIPVZGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-13-14-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3.
What are the key properties of 6-methoxysulfanylnaphthalen-2-ol?
6-methoxysulfanylnaphthalen-2-ol has a molecular weight of 206.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxysulfanylnaphthalen-2-ol is sourced from PubChem (CID 54090378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).