trioctylsulfanium

C24H51S+ — CID 21452185

IUPACtrioctylsulfanium
SMILESCCCCCCCC[S+](CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3/q+1
InChIKeyFCGOWIKMBOOINZ-UHFFFAOYSA-N
MW371.74 g/mol
LogP8.69
Rot. Bonds21

About trioctylsulfanium

trioctylsulfanium (PubChem CID 21452185) has the molecular formula C24H51S+ and a molecular weight of 371.74 g/mol. Its IUPAC name is trioctylsulfanium.

Molecular Properties

Compound Nametrioctylsulfanium
PubChem CID21452185
Molecular FormulaC24H51S+
Molecular Weight371.74 g/mol
Exact Mass371.37
IUPAC Nametrioctylsulfanium
SMILESCCCCCCCC[S+](CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3/q+1
InChIKeyFCGOWIKMBOOINZ-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.74
LogP ≤ 58.69
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

hexyl(dipentyl)sulfanium
CID 141102633
fluoroform;trioctylsulfanium
CID 162048426
methyl-octadecyl-octylsulfanium
CID 88709948
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of trioctylsulfanium?
The IUPAC name of trioctylsulfanium (CID 21452185) is trioctylsulfanium.
What is the SMILES notation for trioctylsulfanium?
The canonical SMILES for trioctylsulfanium is CCCCCCCC[S+](CCCCCCCC)CCCCCCCC.
What is the InChIKey of trioctylsulfanium?
The InChIKey is FCGOWIKMBOOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3/q+1.
What are the key properties of trioctylsulfanium?
trioctylsulfanium has a molecular weight of 371.74 g/mol, XLogP of 8.69, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trioctylsulfanium is sourced from PubChem (CID 21452185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).