[2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite

C4H11I2N3S2 — CID 142608740

IUPAC[2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite
SMILESISNCCNCCNSI
InChIInChI=1S/C4H11I2N3S2/c5-10-8-3-1-7-2-4-9-11-6/h7-9H,1-4H2
InChIKeyVMENEFMBCYZLFC-UHFFFAOYSA-N
MW419.10 g/mol
LogP1.75
Rot. Bonds8

About [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite

[2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite (PubChem CID 142608740) has the molecular formula C4H11I2N3S2 and a molecular weight of 419.10 g/mol. Its IUPAC name is [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite.

Molecular Properties

Compound Name[2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite
PubChem CID142608740
Molecular FormulaC4H11I2N3S2
Molecular Weight419.10 g/mol
Exact Mass418.85
IUPAC Name[2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite
SMILESISNCCNCCNSI
InChIInChI=1S/C4H11I2N3S2/c5-10-8-3-1-7-2-4-9-11-6/h7-9H,1-4H2
InChIKeyVMENEFMBCYZLFC-UHFFFAOYSA-N
XLogP1.75
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.10
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-ethylethane-1,2-diamine;dihydroiodide
CID 17783216
N'-[2-(iodoamino)ethyl]ethane-1,2-diamine
CID 21419877
N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine
CID 89171602
N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine
CID 134458223
N-[2-(ethylamino)ethyl]thiohydroxylamine
CID 142567023
(7-Iodosulfanyl-1,4,7,10-tetrazacyclododec-1-yl) thiohypoiodite
CID 142842664
(4-Iodosulfanyl-1,4,7-triazonan-1-yl) thiohypoiodite
CID 142842669
[Bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite
CID 145283394
[Bis(2-aminoethyl)amino] thiohypoiodite
CID 145616643
N,N-bis(2-aminoethyl)thiohydroxylamine
CID 167298608
N'-(2-thionitrosoethyl)ethane-1,2-diamine
CID 174887217
N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine
CID 175157596

Frequently Asked Questions

What is the IUPAC name of [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite?
The IUPAC name of [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite (CID 142608740) is [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite.
What is the SMILES notation for [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite?
The canonical SMILES for [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite is ISNCCNCCNSI.
What is the InChIKey of [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite?
The InChIKey is VMENEFMBCYZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11I2N3S2/c5-10-8-3-1-7-2-4-9-11-6/h7-9H,1-4H2.
What are the key properties of [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite?
[2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite has a molecular weight of 419.10 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite is sourced from PubChem (CID 142608740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).