[ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite

C2H5I3S2 — CID 88912621

IUPAC[ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite
SMILESCCS(I)(I)SI
InChIInChI=1S/C2H5I3S2/c1-2-7(4,5)6-3/h2H2,1H3
InChIKeyDBJCQPYYFGKNKH-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.51
Rot. Bonds2

About [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite

[ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite (PubChem CID 88912621) has the molecular formula C2H5I3S2 and a molecular weight of 473.91 g/mol. Its IUPAC name is [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite.

Molecular Properties

Compound Name[ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite
PubChem CID88912621
Molecular FormulaC2H5I3S2
Molecular Weight473.91 g/mol
Exact Mass473.70
IUPAC Name[ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite
SMILESCCS(I)(I)SI
InChIInChI=1S/C2H5I3S2/c1-2-7(4,5)6-3/h2H2,1H3
InChIKeyDBJCQPYYFGKNKH-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-iodo-dimethyl-λ4-sulfane
CID 12539936
[ethyl(diiodo)-λ6-sulfanylidyne]phosphane
CID 89367320
methanesulfonamide;propane
CID 158760342
cobalt;ethanesulfonic acid
CID 162463828
triethyl(sulfo)azanium
CID 54129973
ethyl-dihydroxy-sulfoazanium
CID 54500104
azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane
CID 89364772
sulfuryl diiodide
CID 22177328
iodo(1,2-13C2)ethane
CID 10855737
1,1-bis(methylsulfonyl)propane
CID 19348890
butane;sulfur dioxide;sulfuric acid
CID 174729220
triethyl(fluoro)-λ4-sulfane
CID 141479228

Frequently Asked Questions

What is the IUPAC name of [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite?
The IUPAC name of [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite (CID 88912621) is [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite.
What is the SMILES notation for [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite?
The canonical SMILES for [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite is CCS(I)(I)SI.
What is the InChIKey of [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite?
The InChIKey is DBJCQPYYFGKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5I3S2/c1-2-7(4,5)6-3/h2H2,1H3.
What are the key properties of [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite?
[ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite has a molecular weight of 473.91 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(diiodo)-λ4-sulfanyl] thiohypoiodite is sourced from PubChem (CID 88912621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).