iodo-pentyl-dipropyl-λ4-sulfane

C11H25IS — CID 141102415

IUPACiodo-pentyl-dipropyl-λ4-sulfane
SMILESCCCCCS(I)(CCC)CCC
InChIInChI=1S/C11H25IS/c1-4-7-8-11-13(12,9-5-2)10-6-3/h4-11H2,1-3H3
InChIKeyNLJRSKZZWYHKEL-UHFFFAOYSA-N
MW316.29 g/mol
LogP5.15
Rot. Bonds8

About iodo-pentyl-dipropyl-λ4-sulfane

iodo-pentyl-dipropyl-λ4-sulfane (PubChem CID 141102415) has the molecular formula C11H25IS and a molecular weight of 316.29 g/mol. Its IUPAC name is iodo-pentyl-dipropyl-λ4-sulfane.

Molecular Properties

Compound Nameiodo-pentyl-dipropyl-λ4-sulfane
PubChem CID141102415
Molecular FormulaC11H25IS
Molecular Weight316.29 g/mol
Exact Mass316.07
IUPAC Nameiodo-pentyl-dipropyl-λ4-sulfane
SMILESCCCCCS(I)(CCC)CCC
InChIInChI=1S/C11H25IS/c1-4-7-8-11-13(12,9-5-2)10-6-3/h4-11H2,1-3H3
InChIKeyNLJRSKZZWYHKEL-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.29
LogP ≤ 55.15
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

iodo(trioctyl)-λ4-sulfane
CID 156731954
diheptyl-iodo-nonyl-λ4-sulfane
CID 141102363
didecyl-iodo-octyl-λ4-sulfane
CID 141102573
butyl-dihexyl-iodo-λ4-sulfane
CID 141102375
trihexyl(methyl)-λ4-sulfane
CID 138739733
bromo-octyl-dipropyl-λ4-sulfane
CID 141102624
heptyl(trimethyl)-λ4-sulfane
CID 155014090
iodomethane;octadecane
CID 174964097
butyl-heptyl-dimethyl-λ4-sulfane
CID 123547553
1-octylsulfonylnonane
CID 19089492
trichloro(octyl)-λ4-sulfane
CID 129156705
trifluoro(octyl)-λ4-sulfane
CID 19024890

Frequently Asked Questions

What is the IUPAC name of iodo-pentyl-dipropyl-λ4-sulfane?
The IUPAC name of iodo-pentyl-dipropyl-λ4-sulfane (CID 141102415) is iodo-pentyl-dipropyl-λ4-sulfane.
What is the SMILES notation for iodo-pentyl-dipropyl-λ4-sulfane?
The canonical SMILES for iodo-pentyl-dipropyl-λ4-sulfane is CCCCCS(I)(CCC)CCC.
What is the InChIKey of iodo-pentyl-dipropyl-λ4-sulfane?
The InChIKey is NLJRSKZZWYHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25IS/c1-4-7-8-11-13(12,9-5-2)10-6-3/h4-11H2,1-3H3.
What are the key properties of iodo-pentyl-dipropyl-λ4-sulfane?
iodo-pentyl-dipropyl-λ4-sulfane has a molecular weight of 316.29 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-pentyl-dipropyl-λ4-sulfane is sourced from PubChem (CID 141102415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).