iodo(trioctyl)-λ4-sulfane

C24H51IS — CID 156731954

IUPACiodo(trioctyl)-λ4-sulfane
SMILESCCCCCCCCS(I)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51IS/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKeyKTDVDXUWIZSXCO-UHFFFAOYSA-N
MW498.64 g/mol
LogP10.22
Rot. Bonds21

About iodo(trioctyl)-λ4-sulfane

iodo(trioctyl)-λ4-sulfane (PubChem CID 156731954) has the molecular formula C24H51IS and a molecular weight of 498.64 g/mol. Its IUPAC name is iodo(trioctyl)-λ4-sulfane.

Molecular Properties

Compound Nameiodo(trioctyl)-λ4-sulfane
PubChem CID156731954
Molecular FormulaC24H51IS
Molecular Weight498.64 g/mol
Exact Mass498.28
IUPAC Nameiodo(trioctyl)-λ4-sulfane
SMILESCCCCCCCCS(I)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51IS/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKeyKTDVDXUWIZSXCO-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.64
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diheptyl-iodo-nonyl-λ4-sulfane
CID 141102363
didecyl-iodo-octyl-λ4-sulfane
CID 141102573
butyl-dihexyl-iodo-λ4-sulfane
CID 141102375
iodo-pentyl-dipropyl-λ4-sulfane
CID 141102415
trihexyl(methyl)-λ4-sulfane
CID 138739733
iodomethane;octadecane
CID 174964097
heptyl(trimethyl)-λ4-sulfane
CID 155014090
decane;heptane
CID 159049036
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of iodo(trioctyl)-λ4-sulfane?
The IUPAC name of iodo(trioctyl)-λ4-sulfane (CID 156731954) is iodo(trioctyl)-λ4-sulfane.
What is the SMILES notation for iodo(trioctyl)-λ4-sulfane?
The canonical SMILES for iodo(trioctyl)-λ4-sulfane is CCCCCCCCS(I)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of iodo(trioctyl)-λ4-sulfane?
The InChIKey is KTDVDXUWIZSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51IS/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3.
What are the key properties of iodo(trioctyl)-λ4-sulfane?
iodo(trioctyl)-λ4-sulfane has a molecular weight of 498.64 g/mol, XLogP of 10.22, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(trioctyl)-λ4-sulfane is sourced from PubChem (CID 156731954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).