[bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite

C4H10I3N3S3 — CID 145283394

IUPAC[bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite
SMILESISNCCN(CCNSI)SI
InChIInChI=1S/C4H10I3N3S3/c5-11-8-1-3-10(13-7)4-2-9-12-6/h8-9H,1-4H2
InChIKeyBNWNFHYOELLCMK-UHFFFAOYSA-N
MW577.06 g/mol
LogP3.46
Rot. Bonds9

About [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite

[bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite (PubChem CID 145283394) has the molecular formula C4H10I3N3S3 and a molecular weight of 577.06 g/mol. Its IUPAC name is [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite.

Molecular Properties

Compound Name[bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite
PubChem CID145283394
Molecular FormulaC4H10I3N3S3
Molecular Weight577.06 g/mol
Exact Mass576.72
IUPAC Name[bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite
SMILESISNCCN(CCNSI)SI
InChIInChI=1S/C4H10I3N3S3/c5-11-8-1-3-10(13-7)4-2-9-12-6/h8-9H,1-4H2
InChIKeyBNWNFHYOELLCMK-UHFFFAOYSA-N
XLogP3.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.06
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-aminoethyl)-N-ethylthiohydroxylamine
CID 88508689
N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine
CID 89171602
N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine
CID 89302639
N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine
CID 134458223
[2-[2-(Iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite
CID 142608740
(7-Iodosulfanyl-1,4,7,10-tetrazacyclododec-1-yl) thiohypoiodite
CID 142842664
(4-Iodosulfanyl-1,4,7-triazonan-1-yl) thiohypoiodite
CID 142842669
N'-ethyl-N,N'-diiodoethane-1,2-diamine
CID 143574222
[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 [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite?
The IUPAC name of [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite (CID 145283394) is [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite.
What is the SMILES notation for [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite?
The canonical SMILES for [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite is ISNCCN(CCNSI)SI.
What is the InChIKey of [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite?
The InChIKey is BNWNFHYOELLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10I3N3S3/c5-11-8-1-3-10(13-7)4-2-9-12-6/h8-9H,1-4H2.
What are the key properties of [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite?
[bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite has a molecular weight of 577.06 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite is sourced from PubChem (CID 145283394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).