dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium

C14H15OS+ — CID 58905973

IUPACdimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
SMILESC[S+](C)CC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H15OS/c1-16(2)10-14(15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3/q+1
InChIKeyAGKQQPGFPRYFRP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds3

About dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium

dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium (PubChem CID 58905973) has the molecular formula C14H15OS+ and a molecular weight of 231.34 g/mol. Its IUPAC name is dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium.

Molecular Properties

Compound Namedimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
PubChem CID58905973
Molecular FormulaC14H15OS+
Molecular Weight231.34 g/mol
Exact Mass231.08
IUPAC Namedimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
SMILESC[S+](C)CC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H15OS/c1-16(2)10-14(15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3/q+1
InChIKeyAGKQQPGFPRYFRP-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl-(2-naphthalen-1-yl-2-oxoethyl)-phenylsulfanium
CID 18982424
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
3-naphthalen-1-yl-3-oxopropanoate
CID 22261669
2-tert-butylsulfanyl-1-naphthalen-1-ylethanone
CID 60645589
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
3-ethyl-1-naphthalen-1-ylpentan-1-one
CID 82920782
2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
CID 152783662
1-naphthalen-1-yldodecan-1-one
CID 3424169
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
naphthalene-1-carbonyl iodide
CID 87393513

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium?
The IUPAC name of dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium (CID 58905973) is dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium.
What is the SMILES notation for dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium?
The canonical SMILES for dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium is C[S+](C)CC(=O)c1cccc2ccccc12.
What is the InChIKey of dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium?
The InChIKey is AGKQQPGFPRYFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OS/c1-16(2)10-14(15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3/q+1.
What are the key properties of dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium?
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium has a molecular weight of 231.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium is sourced from PubChem (CID 58905973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).