[8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite

C10H16I2O2S2 — CID 144600443

IUPAC[8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite
SMILESISCC1(CSI)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16I2O2S2/c11-15-7-9(8-16-12)1-3-10(4-2-9)13-5-6-14-10/h1-8H2
InChIKeyGFRXYDMSXBWZJT-UHFFFAOYSA-N
MW486.18 g/mol
LogP4.46
Rot. Bonds4

About [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite

[8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite (PubChem CID 144600443) has the molecular formula C10H16I2O2S2 and a molecular weight of 486.18 g/mol. Its IUPAC name is [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite.

Molecular Properties

Compound Name[8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite
PubChem CID144600443
Molecular FormulaC10H16I2O2S2
Molecular Weight486.18 g/mol
Exact Mass485.87
IUPAC Name[8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite
SMILESISCC1(CSI)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16I2O2S2/c11-15-7-9(8-16-12)1-3-10(4-2-9)13-5-6-14-10/h1-8H2
InChIKeyGFRXYDMSXBWZJT-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite?
The IUPAC name of [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite (CID 144600443) is [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite.
What is the SMILES notation for [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite?
The canonical SMILES for [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite is ISCC1(CSI)CCC2(CC1)OCCO2.
What is the InChIKey of [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite?
The InChIKey is GFRXYDMSXBWZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16I2O2S2/c11-15-7-9(8-16-12)1-3-10(4-2-9)13-5-6-14-10/h1-8H2.
What are the key properties of [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite?
[8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite has a molecular weight of 486.18 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite is sourced from PubChem (CID 144600443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).