[bis(2-hydroxyethyl)amino] thiohypoiodite

C4H10INO2S — CID 155721277

IUPAC[bis(2-hydroxyethyl)amino] thiohypoiodite
SMILESOCCN(CCO)SI
InChIInChI=1S/C4H10INO2S/c5-9-6(1-3-7)2-4-8/h7-8H,1-4H2
InChIKeyRRJBOUMWFQTBKM-UHFFFAOYSA-N
MW263.10 g/mol
LogP0.27
Rot. Bonds5

About [bis(2-hydroxyethyl)amino] thiohypoiodite

[bis(2-hydroxyethyl)amino] thiohypoiodite (PubChem CID 155721277) has the molecular formula C4H10INO2S and a molecular weight of 263.10 g/mol. Its IUPAC name is [bis(2-hydroxyethyl)amino] thiohypoiodite.

Molecular Properties

Compound Name[bis(2-hydroxyethyl)amino] thiohypoiodite
PubChem CID155721277
Molecular FormulaC4H10INO2S
Molecular Weight263.10 g/mol
Exact Mass262.95
IUPAC Name[bis(2-hydroxyethyl)amino] thiohypoiodite
SMILESOCCN(CCO)SI
InChIInChI=1S/C4H10INO2S/c5-9-6(1-3-7)2-4-8/h7-8H,1-4H2
InChIKeyRRJBOUMWFQTBKM-UHFFFAOYSA-N
XLogP0.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;[bis(2-hydroxyethyl)amino] carbamodithioate
CID 174562447
2-[bis(methylsulfanylmethyl)amino]ethanol
CID 89472258
2-[2-hydroxyethyl(methanidyl)amino]ethanol
CID 23545685
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol
CID 57225971
N,N-bis(2-hydroxyethyl)carbamodithioate
CID 4524302
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210

Frequently Asked Questions

What is the IUPAC name of [bis(2-hydroxyethyl)amino] thiohypoiodite?
The IUPAC name of [bis(2-hydroxyethyl)amino] thiohypoiodite (CID 155721277) is [bis(2-hydroxyethyl)amino] thiohypoiodite.
What is the SMILES notation for [bis(2-hydroxyethyl)amino] thiohypoiodite?
The canonical SMILES for [bis(2-hydroxyethyl)amino] thiohypoiodite is OCCN(CCO)SI.
What is the InChIKey of [bis(2-hydroxyethyl)amino] thiohypoiodite?
The InChIKey is RRJBOUMWFQTBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INO2S/c5-9-6(1-3-7)2-4-8/h7-8H,1-4H2.
What are the key properties of [bis(2-hydroxyethyl)amino] thiohypoiodite?
[bis(2-hydroxyethyl)amino] thiohypoiodite has a molecular weight of 263.10 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-hydroxyethyl)amino] thiohypoiodite is sourced from PubChem (CID 155721277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).