5-methyl-1,3,2-dioxathiane 2,2-dioxide

C4H8O4S — CID 71373736

IUPAC5-methyl-1,3,2-dioxathiane 2,2-dioxide
SMILESCC1COS(=O)(=O)OC1
InChIInChI=1S/C4H8O4S/c1-4-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3
InChIKeyJAABAXUXIQYUFF-UHFFFAOYSA-N
MW152.17 g/mol
LogP-0.09
Rot. Bonds

About 5-methyl-1,3,2-dioxathiane 2,2-dioxide

5-methyl-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 71373736) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is 5-methyl-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name5-methyl-1,3,2-dioxathiane 2,2-dioxide
PubChem CID71373736
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name5-methyl-1,3,2-dioxathiane 2,2-dioxide
SMILESCC1COS(=O)(=O)OC1
InChIInChI=1S/C4H8O4S/c1-4-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3
InChIKeyJAABAXUXIQYUFF-UHFFFAOYSA-N
XLogP-0.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of 5-methyl-1,3,2-dioxathiane 2,2-dioxide (CID 71373736) is 5-methyl-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for 5-methyl-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for 5-methyl-1,3,2-dioxathiane 2,2-dioxide is CC1COS(=O)(=O)OC1.
What is the InChIKey of 5-methyl-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is JAABAXUXIQYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-4-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-1,3,2-dioxathiane 2,2-dioxide?
5-methyl-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 152.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 71373736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).