benzyl(diethyl)sulfanium chloride

C11H17ClS — CID 23454507

IUPACbenzyl(diethyl)sulfanium chloride
SMILESCC[S+](CC)Cc1ccccc1.[Cl-]
InChIInChI=1S/C11H17S.ClH/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H/q+1;/p-1
InChIKeyGDKSGUPCUITVJN-UHFFFAOYSA-M
MW216.78 g/mol
LogP-0.15
Rot. Bonds4

About benzyl(diethyl)sulfanium chloride

benzyl(diethyl)sulfanium chloride (PubChem CID 23454507) has the molecular formula C11H17ClS and a molecular weight of 216.78 g/mol. Its IUPAC name is benzyl(diethyl)sulfanium chloride.

Molecular Properties

Compound Namebenzyl(diethyl)sulfanium chloride
PubChem CID23454507
Molecular FormulaC11H17ClS
Molecular Weight216.78 g/mol
Exact Mass216.07
IUPAC Namebenzyl(diethyl)sulfanium chloride
SMILESCC[S+](CC)Cc1ccccc1.[Cl-]
InChIInChI=1S/C11H17S.ClH/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H/q+1;/p-1
InChIKeyGDKSGUPCUITVJN-UHFFFAOYSA-M
XLogP-0.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.78
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(diethyl)sulfanium hydroxide
CID 161058007
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 chloride?
The IUPAC name of benzyl(diethyl)sulfanium chloride (CID 23454507) is benzyl(diethyl)sulfanium chloride.
What is the SMILES notation for benzyl(diethyl)sulfanium chloride?
The canonical SMILES for benzyl(diethyl)sulfanium chloride is CC[S+](CC)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl(diethyl)sulfanium chloride?
The InChIKey is GDKSGUPCUITVJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17S.ClH/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H/q+1;/p-1.
What are the key properties of benzyl(diethyl)sulfanium chloride?
benzyl(diethyl)sulfanium chloride has a molecular weight of 216.78 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diethyl)sulfanium chloride is sourced from PubChem (CID 23454507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).