[acetyloxy(diphenyl)methyl]-oxosulfanium

C15H13O3S+ — CID 174491893

IUPAC[acetyloxy(diphenyl)methyl]-oxosulfanium
SMILESCC(=O)OC([S+]=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O3S/c1-12(16)18-15(19-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/q+1
InChIKeyLGQUEXZLWXUDBK-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.88
Rot. Bonds4

About [acetyloxy(diphenyl)methyl]-oxosulfanium

[acetyloxy(diphenyl)methyl]-oxosulfanium (PubChem CID 174491893) has the molecular formula C15H13O3S+ and a molecular weight of 273.33 g/mol. Its IUPAC name is [acetyloxy(diphenyl)methyl]-oxosulfanium.

Molecular Properties

Compound Name[acetyloxy(diphenyl)methyl]-oxosulfanium
PubChem CID174491893
Molecular FormulaC15H13O3S+
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name[acetyloxy(diphenyl)methyl]-oxosulfanium
SMILESCC(=O)OC([S+]=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O3S/c1-12(16)18-15(19-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/q+1
InChIKeyLGQUEXZLWXUDBK-UHFFFAOYSA-N
XLogP2.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
(3-fluoro-2-phenylbut-3-en-2-yl) acetate
CID 10910741
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate
CID 141429287
benzoic acid;tert-butyl acetate
CID 143820890
2-phenylpent-4-en-2-yl acetate
CID 15164764
[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate
CID 46190086

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(diphenyl)methyl]-oxosulfanium?
The IUPAC name of [acetyloxy(diphenyl)methyl]-oxosulfanium (CID 174491893) is [acetyloxy(diphenyl)methyl]-oxosulfanium.
What is the SMILES notation for [acetyloxy(diphenyl)methyl]-oxosulfanium?
The canonical SMILES for [acetyloxy(diphenyl)methyl]-oxosulfanium is CC(=O)OC([S+]=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [acetyloxy(diphenyl)methyl]-oxosulfanium?
The InChIKey is LGQUEXZLWXUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O3S/c1-12(16)18-15(19-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/q+1.
What are the key properties of [acetyloxy(diphenyl)methyl]-oxosulfanium?
[acetyloxy(diphenyl)methyl]-oxosulfanium has a molecular weight of 273.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(diphenyl)methyl]-oxosulfanium is sourced from PubChem (CID 174491893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).