2-methyl-1,4-oxathiane 4,4-dioxide

C5H10O3S — CID 2806244

IUPAC2-methyl-1,4-oxathiane 4,4-dioxide
SMILESCC1CS(=O)(=O)CCO1
InChIInChI=1S/C5H10O3S/c1-5-4-9(6,7)3-2-8-5/h5H,2-4H2,1H3
InChIKeyGCJJEHUKJYBORE-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.18
Rot. Bonds

About 2-methyl-1,4-oxathiane 4,4-dioxide

2-methyl-1,4-oxathiane 4,4-dioxide (PubChem CID 2806244) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methyl-1,4-oxathiane 4,4-dioxide.

Molecular Properties

Compound Name2-methyl-1,4-oxathiane 4,4-dioxide
PubChem CID2806244
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-methyl-1,4-oxathiane 4,4-dioxide
SMILESCC1CS(=O)(=O)CCO1
InChIInChI=1S/C5H10O3S/c1-5-4-9(6,7)3-2-8-5/h5H,2-4H2,1H3
InChIKeyGCJJEHUKJYBORE-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-oxathiane 4,4-dioxide?
The IUPAC name of 2-methyl-1,4-oxathiane 4,4-dioxide (CID 2806244) is 2-methyl-1,4-oxathiane 4,4-dioxide.
What is the SMILES notation for 2-methyl-1,4-oxathiane 4,4-dioxide?
The canonical SMILES for 2-methyl-1,4-oxathiane 4,4-dioxide is CC1CS(=O)(=O)CCO1.
What is the InChIKey of 2-methyl-1,4-oxathiane 4,4-dioxide?
The InChIKey is GCJJEHUKJYBORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5-4-9(6,7)3-2-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-1,4-oxathiane 4,4-dioxide?
2-methyl-1,4-oxathiane 4,4-dioxide has a molecular weight of 150.20 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-oxathiane 4,4-dioxide is sourced from PubChem (CID 2806244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).