(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite

C9H19IO3S — CID 143993341

IUPAC(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite
SMILESC1C[C@H]2OCC[C@H]2O1.CC.COSI
InChIInChI=1S/C6H10O2.C2H6.CH3IOS/c1-3-7-6-2-4-8-5(1)6;1-2;1-3-4-2/h5-6H,1-4H2;1-2H3;1H3/t5-,6-;;/m1../s1
InChIKeyCPDFUTIZOTXYDJ-BNTLRKBRSA-N
MW334.22 g/mol
LogP3.22
Rot. Bonds1

About (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite

(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite (PubChem CID 143993341) has the molecular formula C9H19IO3S and a molecular weight of 334.22 g/mol. Its IUPAC name is (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite.

Molecular Properties

Compound Name(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite
PubChem CID143993341
Molecular FormulaC9H19IO3S
Molecular Weight334.22 g/mol
Exact Mass334.01
IUPAC Name(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite
SMILESC1C[C@H]2OCC[C@H]2O1.CC.COSI
InChIInChI=1S/C6H10O2.C2H6.CH3IOS/c1-3-7-6-2-4-8-5(1)6;1-2;1-3-4-2/h5-6H,1-4H2;1-2H3;1H3/t5-,6-;;/m1../s1
InChIKeyCPDFUTIZOTXYDJ-BNTLRKBRSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite?
The IUPAC name of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite (CID 143993341) is (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite.
What is the SMILES notation for (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite?
The canonical SMILES for (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite is C1C[C@H]2OCC[C@H]2O1.CC.COSI.
What is the InChIKey of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite?
The InChIKey is CPDFUTIZOTXYDJ-BNTLRKBRSA-N. The full InChI is InChI=1S/C6H10O2.C2H6.CH3IOS/c1-3-7-6-2-4-8-5(1)6;1-2;1-3-4-2/h5-6H,1-4H2;1-2H3;1H3/t5-,6-;;/m1../s1.
What are the key properties of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite?
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite has a molecular weight of 334.22 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane;methoxy thiohypoiodite is sourced from PubChem (CID 143993341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).