hexyl(dipentyl)sulfanium

C16H35S+ — CID 141102633

IUPAChexyl(dipentyl)sulfanium
SMILESCCCCCC[S+](CCCCC)CCCCC
InChIInChI=1S/C16H35S/c1-4-7-10-13-16-17(14-11-8-5-2)15-12-9-6-3/h4-16H2,1-3H3/q+1
InChIKeyAGXDFNAZGQIZOA-UHFFFAOYSA-N
MW259.52 g/mol
LogP5.57
Rot. Bonds13

About hexyl(dipentyl)sulfanium

hexyl(dipentyl)sulfanium (PubChem CID 141102633) has the molecular formula C16H35S+ and a molecular weight of 259.52 g/mol. Its IUPAC name is hexyl(dipentyl)sulfanium.

Molecular Properties

Compound Namehexyl(dipentyl)sulfanium
PubChem CID141102633
Molecular FormulaC16H35S+
Molecular Weight259.52 g/mol
Exact Mass259.25
IUPAC Namehexyl(dipentyl)sulfanium
SMILESCCCCCC[S+](CCCCC)CCCCC
InChIInChI=1S/C16H35S/c1-4-7-10-13-16-17(14-11-8-5-2)15-12-9-6-3/h4-16H2,1-3H3/q+1
InChIKeyAGXDFNAZGQIZOA-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trioctylsulfanium
CID 21452185
fluoroform;trioctylsulfanium
CID 162048426
methyl-octadecyl-octylsulfanium
CID 88709948
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
dohexacontane
CID 522644
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of hexyl(dipentyl)sulfanium?
The IUPAC name of hexyl(dipentyl)sulfanium (CID 141102633) is hexyl(dipentyl)sulfanium.
What is the SMILES notation for hexyl(dipentyl)sulfanium?
The canonical SMILES for hexyl(dipentyl)sulfanium is CCCCCC[S+](CCCCC)CCCCC.
What is the InChIKey of hexyl(dipentyl)sulfanium?
The InChIKey is AGXDFNAZGQIZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35S/c1-4-7-10-13-16-17(14-11-8-5-2)15-12-9-6-3/h4-16H2,1-3H3/q+1.
What are the key properties of hexyl(dipentyl)sulfanium?
hexyl(dipentyl)sulfanium has a molecular weight of 259.52 g/mol, XLogP of 5.57, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(dipentyl)sulfanium is sourced from PubChem (CID 141102633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).