2-acetyloxyethyl-methyl-phenylsulfanium

C11H15O2S+ — CID 58426242

IUPAC2-acetyloxyethyl-methyl-phenylsulfanium
SMILESCC(=O)OCC[S+](C)c1ccccc1
InChIInChI=1S/C11H15O2S/c1-10(12)13-8-9-14(2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/q+1
InChIKeyJAHGXDYYFXDYHT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.86
Rot. Bonds4

About 2-acetyloxyethyl-methyl-phenylsulfanium

2-acetyloxyethyl-methyl-phenylsulfanium (PubChem CID 58426242) has the molecular formula C11H15O2S+ and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-acetyloxyethyl-methyl-phenylsulfanium.

Molecular Properties

Compound Name2-acetyloxyethyl-methyl-phenylsulfanium
PubChem CID58426242
Molecular FormulaC11H15O2S+
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name2-acetyloxyethyl-methyl-phenylsulfanium
SMILESCC(=O)OCC[S+](C)c1ccccc1
InChIInChI=1S/C11H15O2S/c1-10(12)13-8-9-14(2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/q+1
InChIKeyJAHGXDYYFXDYHT-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
CID 174791962
propyl acetate;propyl benzoate
CID 123140515
acetyloxymethyl 2-phenylacetate
CID 121486345
2-[[(1S)-1-carboxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyloxy]ethyl-methyl-phenylsulfanium
CID 101336550
carboxymethyl-methyl-phenylsulfanium
CID 11974915
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
benzyl acetate
CID 8785
[(3R)-3-phenylbutyl] acetate
CID 12598598
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
3-diphenylphosphanylpropyl acetate
CID 57133096

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-methyl-phenylsulfanium?
The IUPAC name of 2-acetyloxyethyl-methyl-phenylsulfanium (CID 58426242) is 2-acetyloxyethyl-methyl-phenylsulfanium.
What is the SMILES notation for 2-acetyloxyethyl-methyl-phenylsulfanium?
The canonical SMILES for 2-acetyloxyethyl-methyl-phenylsulfanium is CC(=O)OCC[S+](C)c1ccccc1.
What is the InChIKey of 2-acetyloxyethyl-methyl-phenylsulfanium?
The InChIKey is JAHGXDYYFXDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2S/c1-10(12)13-8-9-14(2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/q+1.
What are the key properties of 2-acetyloxyethyl-methyl-phenylsulfanium?
2-acetyloxyethyl-methyl-phenylsulfanium has a molecular weight of 211.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-methyl-phenylsulfanium is sourced from PubChem (CID 58426242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).