2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane

C5H10O3S — CID 70189721

IUPAC2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane
SMILESC.O=S1(=O)C=COCC1
InChIInChI=1S/C4H6O3S.CH4/c5-8(6)3-1-7-2-4-8;/h1,3H,2,4H2;1H4
InChIKeyWEKNDRQTIVVZRF-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.54
Rot. Bonds

About 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane

2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane (PubChem CID 70189721) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane.

Molecular Properties

Compound Name2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane
PubChem CID70189721
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane
SMILESC.O=S1(=O)C=COCC1
InChIInChI=1S/C4H6O3S.CH4/c5-8(6)3-1-7-2-4-8;/h1,3H,2,4H2;1H4
InChIKeyWEKNDRQTIVVZRF-UHFFFAOYSA-N
XLogP0.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane?
The IUPAC name of 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane (CID 70189721) is 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane.
What is the SMILES notation for 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane?
The canonical SMILES for 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane is C.O=S1(=O)C=COCC1.
What is the InChIKey of 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane?
The InChIKey is WEKNDRQTIVVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S.CH4/c5-8(6)3-1-7-2-4-8;/h1,3H,2,4H2;1H4.
What are the key properties of 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane?
2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane has a molecular weight of 150.20 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-oxathiine 4,4-dioxide;methane is sourced from PubChem (CID 70189721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).