4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide

C4H6O4S — CID 146263751

IUPAC4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide
SMILESCC1C=COS(=O)(=O)O1
InChIInChI=1S/C4H6O4S/c1-4-2-3-7-9(5,6)8-4/h2-4H,1H3
InChIKeyYTXZQVYSKYWFBO-UHFFFAOYSA-N
MW150.15 g/mol
LogP0.18
Rot. Bonds

About 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide

4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide (PubChem CID 146263751) has the molecular formula C4H6O4S and a molecular weight of 150.15 g/mol. Its IUPAC name is 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide.

Molecular Properties

Compound Name4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide
PubChem CID146263751
Molecular FormulaC4H6O4S
Molecular Weight150.15 g/mol
Exact Mass150.00
IUPAC Name4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide
SMILESCC1C=COS(=O)(=O)O1
InChIInChI=1S/C4H6O4S/c1-4-2-3-7-9(5,6)8-4/h2-4H,1H3
InChIKeyYTXZQVYSKYWFBO-UHFFFAOYSA-N
XLogP0.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide?
The IUPAC name of 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide (CID 146263751) is 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide.
What is the SMILES notation for 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide?
The canonical SMILES for 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide is CC1C=COS(=O)(=O)O1.
What is the InChIKey of 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide?
The InChIKey is YTXZQVYSKYWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S/c1-4-2-3-7-9(5,6)8-4/h2-4H,1H3.
What are the key properties of 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide?
4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide has a molecular weight of 150.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4H-1,3,2-dioxathiine 2,2-dioxide is sourced from PubChem (CID 146263751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).