3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide

C4H6O4S — CID 89343449

IUPAC3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
SMILESO=S1OC2COCC2O1
InChIInChI=1S/C4H6O4S/c5-9-7-3-1-6-2-4(3)8-9/h3-4H,1-2H2
InChIKeyAEJFZRWJLXEEDL-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.62
Rot. Bonds

About 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide

3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide (PubChem CID 89343449) has the molecular formula C4H6O4S and a molecular weight of 150.15 g/mol. Its IUPAC name is 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide.

Molecular Properties

Compound Name3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
PubChem CID89343449
Molecular FormulaC4H6O4S
Molecular Weight150.15 g/mol
Exact Mass150.00
IUPAC Name3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
SMILESO=S1OC2COCC2O1
InChIInChI=1S/C4H6O4S/c5-9-7-3-1-6-2-4(3)8-9/h3-4H,1-2H2
InChIKeyAEJFZRWJLXEEDL-UHFFFAOYSA-N
XLogP-0.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
CID 10920682
5-ethenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
CID 87104570
4-iodo-1,3,2-dioxathiolane 2-oxide
CID 71446513
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
4-ethyl-1,3,2-dioxathiolane 2-oxide
CID 14594671
(1R,9R)-11,11-dimethyl-3,5,7,10,12-pentaoxa-4λ4-thiatricyclo[7.3.0.02,6]dodecane 4-oxide
CID 134986662
[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol
CID 101003866
5-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 177019686
(3aR,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;10H-phenothiazine
CID 144921547
(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide
CID 10850464
4,5-diethynyl-1,3,2-dioxathiane 2-oxide
CID 89446455
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594

Frequently Asked Questions

What is the IUPAC name of 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
The IUPAC name of 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide (CID 89343449) is 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide.
What is the SMILES notation for 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
The canonical SMILES for 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide is O=S1OC2COCC2O1.
What is the InChIKey of 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
The InChIKey is AEJFZRWJLXEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S/c5-9-7-3-1-6-2-4(3)8-9/h3-4H,1-2H2.
What are the key properties of 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide has a molecular weight of 150.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide is sourced from PubChem (CID 89343449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).