dimethyl(phenacyl)sulfanium tetrafluoroborate

C10H13BF4OS — CID 2737123

IUPACdimethyl(phenacyl)sulfanium tetrafluoroborate
SMILESC[S+](C)CC(=O)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H13OS.BF4/c1-12(2)8-10(11)9-6-4-3-5-7-9;2-1(3,4)5/h3-7H,8H2,1-2H3;/q+1;-1
InChIKeyNYDZUKNJLPHOOF-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.05
Rot. Bonds3

About dimethyl(phenacyl)sulfanium tetrafluoroborate

dimethyl(phenacyl)sulfanium tetrafluoroborate (PubChem CID 2737123) has the molecular formula C10H13BF4OS and a molecular weight of 268.08 g/mol. Its IUPAC name is dimethyl(phenacyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namedimethyl(phenacyl)sulfanium tetrafluoroborate
PubChem CID2737123
Molecular FormulaC10H13BF4OS
Molecular Weight268.08 g/mol
Exact Mass268.07
IUPAC Namedimethyl(phenacyl)sulfanium tetrafluoroborate
SMILESC[S+](C)CC(=O)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H13OS.BF4/c1-12(2)8-10(11)9-6-4-3-5-7-9;2-1(3,4)5/h3-7H,8H2,1-2H3;/q+1;-1
InChIKeyNYDZUKNJLPHOOF-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl(phenacyl)sulfanium;ethynyl(triphenyl)boranuide
CID 18982348
[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium
CID 3251030
ethyl-methyl-phenacylsulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139748273
[2-(4-fluorophenyl)-2-oxoethyl]-dimethylsulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139727329
benzoic acid tritetrafluoroborate
CID 173117311
benzene;2-hydroxy-1-phenylethanone
CID 174663024
(2-anthracen-2-yl-2-oxoethyl)-dimethylsulfanium
CID 58905985
[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxoethyl]-dimethylsulfanium
CID 59664419
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium bromide
CID 87971438
1-phenyl(111C)propan-1-one
CID 11159350

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenacyl)sulfanium tetrafluoroborate?
The IUPAC name of dimethyl(phenacyl)sulfanium tetrafluoroborate (CID 2737123) is dimethyl(phenacyl)sulfanium tetrafluoroborate.
What is the SMILES notation for dimethyl(phenacyl)sulfanium tetrafluoroborate?
The canonical SMILES for dimethyl(phenacyl)sulfanium tetrafluoroborate is C[S+](C)CC(=O)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of dimethyl(phenacyl)sulfanium tetrafluoroborate?
The InChIKey is NYDZUKNJLPHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OS.BF4/c1-12(2)8-10(11)9-6-4-3-5-7-9;2-1(3,4)5/h3-7H,8H2,1-2H3;/q+1;-1.
What are the key properties of dimethyl(phenacyl)sulfanium tetrafluoroborate?
dimethyl(phenacyl)sulfanium tetrafluoroborate has a molecular weight of 268.08 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenacyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 2737123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).