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

C5H8O3S — CID 15939947

IUPAC6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide
SMILESCC1=CS(=O)(=O)CCO1
InChIInChI=1S/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H3
InChIKeyMGJVOKIJBBSROU-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.29
Rot. Bonds

About 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide

6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide (PubChem CID 15939947) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide
PubChem CID15939947
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide
SMILESCC1=CS(=O)(=O)CCO1
InChIInChI=1S/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H3
InChIKeyMGJVOKIJBBSROU-UHFFFAOYSA-N
XLogP0.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide?
The IUPAC name of 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide (CID 15939947) is 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide?
The canonical SMILES for 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide is CC1=CS(=O)(=O)CCO1.
What is the InChIKey of 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide?
The InChIKey is MGJVOKIJBBSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide?
6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide has a molecular weight of 148.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide is sourced from PubChem (CID 15939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).