1-naphthalen-2-ylthiolan-1-ium

C14H15S+ — CID 21049778

IUPAC1-naphthalen-2-ylthiolan-1-ium
SMILESc1ccc2cc([S+]3CCCC3)ccc2c1
InChIInChI=1S/C14H15S/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-8,11H,3-4,9-10H2/q+1
InChIKeyRZWUBFVTEQFWEX-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.61
Rot. Bonds1

About 1-naphthalen-2-ylthiolan-1-ium

1-naphthalen-2-ylthiolan-1-ium (PubChem CID 21049778) has the molecular formula C14H15S+ and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-naphthalen-2-ylthiolan-1-ium.

Molecular Properties

Compound Name1-naphthalen-2-ylthiolan-1-ium
PubChem CID21049778
Molecular FormulaC14H15S+
Molecular Weight215.34 g/mol
Exact Mass215.09
IUPAC Name1-naphthalen-2-ylthiolan-1-ium
SMILESc1ccc2cc([S+]3CCCC3)ccc2c1
InChIInChI=1S/C14H15S/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-8,11H,3-4,9-10H2/q+1
InChIKeyRZWUBFVTEQFWEX-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-naphthalen-2-yldibenzothiophen-5-ium
CID 59594107
anthracene;benzene;naphthalene
CID 142706236
1-naphthalen-2-yl-2-(thiepan-1-ium-1-yl)ethanone
CID 142377238
1-phenylthiiran-1-ium
CID 22981884
1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanol
CID 149143040
naphthalene
CID 10240860
naphthalene
CID 21288458
anthracene;ethane;naphthalene
CID 159079166
CID 175020259
CID 175020259
anthracene;naphthalene;phenanthrene
CID 158591187
hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone
CID 16705545
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylthiolan-1-ium?
The IUPAC name of 1-naphthalen-2-ylthiolan-1-ium (CID 21049778) is 1-naphthalen-2-ylthiolan-1-ium.
What is the SMILES notation for 1-naphthalen-2-ylthiolan-1-ium?
The canonical SMILES for 1-naphthalen-2-ylthiolan-1-ium is c1ccc2cc([S+]3CCCC3)ccc2c1.
What is the InChIKey of 1-naphthalen-2-ylthiolan-1-ium?
The InChIKey is RZWUBFVTEQFWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15S/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-8,11H,3-4,9-10H2/q+1.
What are the key properties of 1-naphthalen-2-ylthiolan-1-ium?
1-naphthalen-2-ylthiolan-1-ium has a molecular weight of 215.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylthiolan-1-ium is sourced from PubChem (CID 21049778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).