[bis(furan-3-yl)-λ3-iodanyl] methyl sulfate

C9H9IO6S — CID 176653925

IUPAC[bis(furan-3-yl)-λ3-iodanyl] methyl sulfate
SMILESCOS(=O)(=O)OI(c1ccoc1)c1ccoc1
InChIInChI=1S/C9H9IO6S/c1-13-17(11,12)16-10(8-2-4-14-6-8)9-3-5-15-7-9/h2-7H,1H3
InChIKeySRTFGXDZTBEXAH-UHFFFAOYSA-N
MW372.14 g/mol
LogP2.24
Rot. Bonds5

About [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate

[bis(furan-3-yl)-λ3-iodanyl] methyl sulfate (PubChem CID 176653925) has the molecular formula C9H9IO6S and a molecular weight of 372.14 g/mol. Its IUPAC name is [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate.

Molecular Properties

Compound Name[bis(furan-3-yl)-λ3-iodanyl] methyl sulfate
PubChem CID176653925
Molecular FormulaC9H9IO6S
Molecular Weight372.14 g/mol
Exact Mass371.92
IUPAC Name[bis(furan-3-yl)-λ3-iodanyl] methyl sulfate
SMILESCOS(=O)(=O)OI(c1ccoc1)c1ccoc1
InChIInChI=1S/C9H9IO6S/c1-13-17(11,12)16-10(8-2-4-14-6-8)9-3-5-15-7-9/h2-7H,1H3
InChIKeySRTFGXDZTBEXAH-UHFFFAOYSA-N
XLogP2.24
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Di-(2-furyl)dimethyl silane
CID 137093
Silane, DI-2-furanylmethyl-
CID 6327371
Mercury, di-2-furanyl-
CID 141435
Di-2-furylsilane
CID 145119
Arsine, chlorodi(2-furyl)-
CID 46859
Chlorodi(2-furyl)phosphine
CID 5104771
Di(2-furyl)diethoxysilane
CID 12591888
Dimethyldi(2-furyl)germane
CID 13384393
Mercury, di-3-furanyl-
CID 141436
[Bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate
CID 15738845
Bis(furan-2-yl)iodanium;trifluoromethanesulfonate
CID 176442546
Methyltri(2-furyl)stannane
CID 13084939

Frequently Asked Questions

What is the IUPAC name of [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate?
The IUPAC name of [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate (CID 176653925) is [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate.
What is the SMILES notation for [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate?
The canonical SMILES for [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate is COS(=O)(=O)OI(c1ccoc1)c1ccoc1.
What is the InChIKey of [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate?
The InChIKey is SRTFGXDZTBEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO6S/c1-13-17(11,12)16-10(8-2-4-14-6-8)9-3-5-15-7-9/h2-7H,1H3.
What are the key properties of [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate?
[bis(furan-3-yl)-λ3-iodanyl] methyl sulfate has a molecular weight of 372.14 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(furan-3-yl)-λ3-iodanyl] methyl sulfate is sourced from PubChem (CID 176653925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).