4-(thiolan-1-ium-1-yl)naphthalen-1-ol

C14H15OS+ — CID 3104139

IUPAC4-(thiolan-1-ium-1-yl)naphthalen-1-ol
SMILESOc1ccc([S+]2CCCC2)c2ccccc12
InChIInChI=1S/C14H14OS/c15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2/p+1
InChIKeyTYXGWNTYNTZQLI-UHFFFAOYSA-O
MW231.34 g/mol
LogP3.32
Rot. Bonds1

About 4-(thiolan-1-ium-1-yl)naphthalen-1-ol

4-(thiolan-1-ium-1-yl)naphthalen-1-ol (PubChem CID 3104139) has the molecular formula C14H15OS+ and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(thiolan-1-ium-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(thiolan-1-ium-1-yl)naphthalen-1-ol
PubChem CID3104139
Molecular FormulaC14H15OS+
Molecular Weight231.34 g/mol
Exact Mass231.08
IUPAC Name4-(thiolan-1-ium-1-yl)naphthalen-1-ol
SMILESOc1ccc([S+]2CCCC2)c2ccccc12
InChIInChI=1S/C14H14OS/c15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2/p+1
InChIKeyTYXGWNTYNTZQLI-UHFFFAOYSA-O
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.32
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 4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The IUPAC name of 4-(thiolan-1-ium-1-yl)naphthalen-1-ol (CID 3104139) is 4-(thiolan-1-ium-1-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The canonical SMILES for 4-(thiolan-1-ium-1-yl)naphthalen-1-ol is Oc1ccc([S+]2CCCC2)c2ccccc12.
What is the InChIKey of 4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The InChIKey is TYXGWNTYNTZQLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14OS/c15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2/p+1.
What are the key properties of 4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
4-(thiolan-1-ium-1-yl)naphthalen-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-1-ium-1-yl)naphthalen-1-ol is sourced from PubChem (CID 3104139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).