diethyl(1-ethylsulfanylpentan-2-yl)sulfanium

C11H25S2+ — CID 3537630

IUPACdiethyl(1-ethylsulfanylpentan-2-yl)sulfanium
SMILESCCCC(CSCC)[S+](CC)CC
InChIInChI=1S/C11H25S2/c1-5-9-11(10-12-6-2)13(7-3)8-4/h11H,5-10H2,1-4H3/q+1
InChIKeyYJCSZFZWGMULBT-UHFFFAOYSA-N
MW221.45 g/mol
LogP3.57
Rot. Bonds8

About diethyl(1-ethylsulfanylpentan-2-yl)sulfanium

diethyl(1-ethylsulfanylpentan-2-yl)sulfanium (PubChem CID 3537630) has the molecular formula C11H25S2+ and a molecular weight of 221.45 g/mol. Its IUPAC name is diethyl(1-ethylsulfanylpentan-2-yl)sulfanium.

Molecular Properties

Compound Namediethyl(1-ethylsulfanylpentan-2-yl)sulfanium
PubChem CID3537630
Molecular FormulaC11H25S2+
Molecular Weight221.45 g/mol
Exact Mass221.14
IUPAC Namediethyl(1-ethylsulfanylpentan-2-yl)sulfanium
SMILESCCCC(CSCC)[S+](CC)CC
InChIInChI=1S/C11H25S2/c1-5-9-11(10-12-6-2)13(7-3)8-4/h11H,5-10H2,1-4H3/q+1
InChIKeyYJCSZFZWGMULBT-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(1-ethylsulfanylpentan-2-yl)sulfanium?
The IUPAC name of diethyl(1-ethylsulfanylpentan-2-yl)sulfanium (CID 3537630) is diethyl(1-ethylsulfanylpentan-2-yl)sulfanium.
What is the SMILES notation for diethyl(1-ethylsulfanylpentan-2-yl)sulfanium?
The canonical SMILES for diethyl(1-ethylsulfanylpentan-2-yl)sulfanium is CCCC(CSCC)[S+](CC)CC.
What is the InChIKey of diethyl(1-ethylsulfanylpentan-2-yl)sulfanium?
The InChIKey is YJCSZFZWGMULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25S2/c1-5-9-11(10-12-6-2)13(7-3)8-4/h11H,5-10H2,1-4H3/q+1.
What are the key properties of diethyl(1-ethylsulfanylpentan-2-yl)sulfanium?
diethyl(1-ethylsulfanylpentan-2-yl)sulfanium has a molecular weight of 221.45 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(1-ethylsulfanylpentan-2-yl)sulfanium is sourced from PubChem (CID 3537630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).