benzyl(diethyl)sulfanium hydroxide

C11H18OS — CID 161058007

IUPACbenzyl(diethyl)sulfanium hydroxide
SMILESCC[S+](CC)Cc1ccccc1.[OH-]
InChIInChI=1S/C11H17S.H2O/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H2/q+1;/p-1
InChIKeyUCZYONJECCAPSA-UHFFFAOYSA-M
MW198.33 g/mol
LogP2.67
Rot. Bonds4

About benzyl(diethyl)sulfanium hydroxide

benzyl(diethyl)sulfanium hydroxide (PubChem CID 161058007) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is benzyl(diethyl)sulfanium hydroxide.

Molecular Properties

Compound Namebenzyl(diethyl)sulfanium hydroxide
PubChem CID161058007
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Namebenzyl(diethyl)sulfanium hydroxide
SMILESCC[S+](CC)Cc1ccccc1.[OH-]
InChIInChI=1S/C11H17S.H2O/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H2/q+1;/p-1
InChIKeyUCZYONJECCAPSA-UHFFFAOYSA-M
XLogP2.67
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzyl(diethyl)sulfanium hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl(diethyl)sulfanium chloride
CID 23454507
tribenzylsulfanium perchlorate
CID 158591574
benzyl(diethyl)sulfanium;2,4,6-trinitrophenol
CID 154879280
ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
potassium;hydride;propylbenzene
CID 174749122
(213C)ethoxymethylbenzene
CID 87947851
antimony(5+);dibenzyl(phenyl)sulfanium;hexafluoride
CID 170839039
CID 91051906
CID 91051906
ethylbenzene;propane;hydroiodide
CID 142182216

Frequently Asked Questions

What is the IUPAC name of benzyl(diethyl)sulfanium hydroxide?
The IUPAC name of benzyl(diethyl)sulfanium hydroxide (CID 161058007) is benzyl(diethyl)sulfanium hydroxide.
What is the SMILES notation for benzyl(diethyl)sulfanium hydroxide?
The canonical SMILES for benzyl(diethyl)sulfanium hydroxide is CC[S+](CC)Cc1ccccc1.[OH-].
What is the InChIKey of benzyl(diethyl)sulfanium hydroxide?
The InChIKey is UCZYONJECCAPSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17S.H2O/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of benzyl(diethyl)sulfanium hydroxide?
benzyl(diethyl)sulfanium hydroxide has a molecular weight of 198.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diethyl)sulfanium hydroxide is sourced from PubChem (CID 161058007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).