[acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate

C8H9IO4S — CID 10806152

IUPAC[acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccsc1
InChIInChI=1S/C8H9IO4S/c1-6(10)12-9(13-7(2)11)8-3-4-14-5-8/h3-5H,1-2H3
InChIKeyUCJRDUUQBLTLJA-UHFFFAOYSA-N
MW328.13 g/mol
LogP2.38
Rot. Bonds3

About [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate

[acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate (PubChem CID 10806152) has the molecular formula C8H9IO4S and a molecular weight of 328.13 g/mol. Its IUPAC name is [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate.

Molecular Properties

Compound Name[acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate
PubChem CID10806152
Molecular FormulaC8H9IO4S
Molecular Weight328.13 g/mol
Exact Mass327.93
IUPAC Name[acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccsc1
InChIInChI=1S/C8H9IO4S/c1-6(10)12-9(13-7(2)11)8-3-4-14-5-8/h3-5H,1-2H3
InChIKeyUCJRDUUQBLTLJA-UHFFFAOYSA-N
XLogP2.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate?
The IUPAC name of [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate (CID 10806152) is [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate.
What is the SMILES notation for [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate?
The canonical SMILES for [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate is CC(=O)OI(OC(C)=O)c1ccsc1.
What is the InChIKey of [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate?
The InChIKey is UCJRDUUQBLTLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO4S/c1-6(10)12-9(13-7(2)11)8-3-4-14-5-8/h3-5H,1-2H3.
What are the key properties of [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate?
[acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate has a molecular weight of 328.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(thiophen-3-yl)-λ3-iodanyl] acetate is sourced from PubChem (CID 10806152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).