(2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide

C4H8O3S — CID 10964572

IUPAC(2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide
SMILESC[C@@H]1CCO[S@@](=O)O1
InChIInChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/t4-,8-/m1/s1
InChIKeyWGMZCGUVEQNCCE-SPGJFGJESA-N
MW136.17 g/mol
LogP0.39
Rot. Bonds

About (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide

(2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide (PubChem CID 10964572) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide.

Molecular Properties

Compound Name(2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide
PubChem CID10964572
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide
SMILESC[C@@H]1CCO[S@@](=O)O1
InChIInChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/t4-,8-/m1/s1
InChIKeyWGMZCGUVEQNCCE-SPGJFGJESA-N
XLogP0.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
The IUPAC name of (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide (CID 10964572) is (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide.
What is the SMILES notation for (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
The canonical SMILES for (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide is C[C@@H]1CCO[S@@](=O)O1.
What is the InChIKey of (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
The InChIKey is WGMZCGUVEQNCCE-SPGJFGJESA-N. The full InChI is InChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/t4-,8-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
(2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide has a molecular weight of 136.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-1,3,2-dioxathiane 2-oxide is sourced from PubChem (CID 10964572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).