diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium

C15H19OS+ — CID 158770111

IUPACdiethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium
SMILESCC[S+](CC)c1ccc(O)c2c(C)cccc12
InChIInChI=1S/C15H18OS/c1-4-17(5-2)14-10-9-13(16)15-11(3)7-6-8-12(14)15/h6-10H,4-5H2,1-3H3/p+1
InChIKeyODIHTFNAJRWLID-UHFFFAOYSA-O
MW247.38 g/mol
LogP3.87
Rot. Bonds3

About diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium

diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium (PubChem CID 158770111) has the molecular formula C15H19OS+ and a molecular weight of 247.38 g/mol. Its IUPAC name is diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium.

Molecular Properties

Compound Namediethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium
PubChem CID158770111
Molecular FormulaC15H19OS+
Molecular Weight247.38 g/mol
Exact Mass247.12
IUPAC Namediethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium
SMILESCC[S+](CC)c1ccc(O)c2c(C)cccc12
InChIInChI=1S/C15H18OS/c1-4-17(5-2)14-10-9-13(16)15-11(3)7-6-8-12(14)15/h6-10H,4-5H2,1-3H3/p+1
InChIKeyODIHTFNAJRWLID-UHFFFAOYSA-O
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium?
The IUPAC name of diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium (CID 158770111) is diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium.
What is the SMILES notation for diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium?
The canonical SMILES for diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium is CC[S+](CC)c1ccc(O)c2c(C)cccc12.
What is the InChIKey of diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium?
The InChIKey is ODIHTFNAJRWLID-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18OS/c1-4-17(5-2)14-10-9-13(16)15-11(3)7-6-8-12(14)15/h6-10H,4-5H2,1-3H3/p+1.
What are the key properties of diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium?
diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium has a molecular weight of 247.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-hydroxy-5-methylnaphthalen-1-yl)sulfanium is sourced from PubChem (CID 158770111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).