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

C4H6O3S — CID 70189722

IUPAC2,3-dihydro-1,4-oxathiine 4,4-dioxide
SMILESO=S1(=O)C=COCC1
InChIInChI=1S/C4H6O3S/c5-8(6)3-1-7-2-4-8/h1,3H,2,4H2
InChIKeyWBNBXEMKNBROST-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.10
Rot. Bonds

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

2,3-dihydro-1,4-oxathiine 4,4-dioxide (PubChem CID 70189722) has the molecular formula C4H6O3S and a molecular weight of 134.16 g/mol. Its IUPAC name is 2,3-dihydro-1,4-oxathiine 4,4-dioxide.

Molecular Properties

Compound Name2,3-dihydro-1,4-oxathiine 4,4-dioxide
PubChem CID70189722
Molecular FormulaC4H6O3S
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Name2,3-dihydro-1,4-oxathiine 4,4-dioxide
SMILESO=S1(=O)C=COCC1
InChIInChI=1S/C4H6O3S/c5-8(6)3-1-7-2-4-8/h1,3H,2,4H2
InChIKeyWBNBXEMKNBROST-UHFFFAOYSA-N
XLogP-0.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.10
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?
The IUPAC name of 2,3-dihydro-1,4-oxathiine 4,4-dioxide (CID 70189722) is 2,3-dihydro-1,4-oxathiine 4,4-dioxide.
What is the SMILES notation for 2,3-dihydro-1,4-oxathiine 4,4-dioxide?
The canonical SMILES for 2,3-dihydro-1,4-oxathiine 4,4-dioxide is O=S1(=O)C=COCC1.
What is the InChIKey of 2,3-dihydro-1,4-oxathiine 4,4-dioxide?
The InChIKey is WBNBXEMKNBROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S/c5-8(6)3-1-7-2-4-8/h1,3H,2,4H2.
What are the key properties of 2,3-dihydro-1,4-oxathiine 4,4-dioxide?
2,3-dihydro-1,4-oxathiine 4,4-dioxide has a molecular weight of 134.16 g/mol, XLogP of -0.10, 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 is sourced from PubChem (CID 70189722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).