(3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide

C6H10I2O3S — CID 10070479

IUPAC(3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide
SMILESO=S1(=O)[C@H](CI)COC[C@@H]1CI
InChIInChI=1S/C6H10I2O3S/c7-1-5-3-11-4-6(2-8)12(5,9)10/h5-6H,1-4H2/t5-,6+
InChIKeyVWNVGMGBMVNENZ-OLQVQODUSA-N
MW416.02 g/mol
LogP1.04
Rot. Bonds2

About (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide

(3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide (PubChem CID 10070479) has the molecular formula C6H10I2O3S and a molecular weight of 416.02 g/mol. Its IUPAC name is (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide.

Molecular Properties

Compound Name(3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide
PubChem CID10070479
Molecular FormulaC6H10I2O3S
Molecular Weight416.02 g/mol
Exact Mass415.84
IUPAC Name(3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide
SMILESO=S1(=O)[C@H](CI)COC[C@@H]1CI
InChIInChI=1S/C6H10I2O3S/c7-1-5-3-11-4-6(2-8)12(5,9)10/h5-6H,1-4H2/t5-,6+
InChIKeyVWNVGMGBMVNENZ-OLQVQODUSA-N
XLogP1.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.02
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide?
The IUPAC name of (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide (CID 10070479) is (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide.
What is the SMILES notation for (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide?
The canonical SMILES for (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide is O=S1(=O)[C@H](CI)COC[C@@H]1CI.
What is the InChIKey of (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide?
The InChIKey is VWNVGMGBMVNENZ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10I2O3S/c7-1-5-3-11-4-6(2-8)12(5,9)10/h5-6H,1-4H2/t5-,6+.
What are the key properties of (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide?
(3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide has a molecular weight of 416.02 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide is sourced from PubChem (CID 10070479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).