(methoxymethylamino)methyl thiohypoiodite

C3H8INOS — CID 169170943

IUPAC(methoxymethylamino)methyl thiohypoiodite
SMILESCOCNCSI
InChIInChI=1S/C3H8INOS/c1-6-2-5-3-7-4/h5H,2-3H2,1H3
InChIKeyZAELDPZIXFEEAS-UHFFFAOYSA-N
MW233.07 g/mol
LogP1.22
Rot. Bonds4

About (methoxymethylamino)methyl thiohypoiodite

(methoxymethylamino)methyl thiohypoiodite (PubChem CID 169170943) has the molecular formula C3H8INOS and a molecular weight of 233.07 g/mol. Its IUPAC name is (methoxymethylamino)methyl thiohypoiodite.

Molecular Properties

Compound Name(methoxymethylamino)methyl thiohypoiodite
PubChem CID169170943
Molecular FormulaC3H8INOS
Molecular Weight233.07 g/mol
Exact Mass232.94
IUPAC Name(methoxymethylamino)methyl thiohypoiodite
SMILESCOCNCSI
InChIInChI=1S/C3H8INOS/c1-6-2-5-3-7-4/h5H,2-3H2,1H3
InChIKeyZAELDPZIXFEEAS-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methoxymethylamino)methyl thiohypoiodite?
The IUPAC name of (methoxymethylamino)methyl thiohypoiodite (CID 169170943) is (methoxymethylamino)methyl thiohypoiodite.
What is the SMILES notation for (methoxymethylamino)methyl thiohypoiodite?
The canonical SMILES for (methoxymethylamino)methyl thiohypoiodite is COCNCSI.
What is the InChIKey of (methoxymethylamino)methyl thiohypoiodite?
The InChIKey is ZAELDPZIXFEEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INOS/c1-6-2-5-3-7-4/h5H,2-3H2,1H3.
What are the key properties of (methoxymethylamino)methyl thiohypoiodite?
(methoxymethylamino)methyl thiohypoiodite has a molecular weight of 233.07 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxymethylamino)methyl thiohypoiodite is sourced from PubChem (CID 169170943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).