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

C4H8O3S — CID 72941544

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

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

(4R)-4-methyl-1,3,2-dioxathiane 2-oxide (PubChem CID 72941544) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (4R)-4-methyl-1,3,2-dioxathiane 2-oxide.

Molecular Properties

Compound Name(4R)-4-methyl-1,3,2-dioxathiane 2-oxide
PubChem CID72941544
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(4R)-4-methyl-1,3,2-dioxathiane 2-oxide
SMILESC[C@@H]1CCOS(=O)O1
InChIInChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/t4-,8?/m1/s1
InChIKeyWGMZCGUVEQNCCE-WZIMWHJTSA-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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Related Compounds

CID 20481
CID 20481
CID 352587
CID 352587
CID 20480
CID 20480
CID 12896257
CID 12896257
CID 11240688
CID 11240688
CID 15444912
CID 15444912
CID 119095782
CID 119095782
CID 72941543
CID 72941543
CID 15444913
CID 15444913
CID 57003726
CID 57003726
CID 141753122
CID 141753122
CID 12252690
CID 12252690

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
The IUPAC name of (4R)-4-methyl-1,3,2-dioxathiane 2-oxide (CID 72941544) is (4R)-4-methyl-1,3,2-dioxathiane 2-oxide.
What is the SMILES notation for (4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
The canonical SMILES for (4R)-4-methyl-1,3,2-dioxathiane 2-oxide is C[C@@H]1CCOS(=O)O1.
What is the InChIKey of (4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
The InChIKey is WGMZCGUVEQNCCE-WZIMWHJTSA-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 (4R)-4-methyl-1,3,2-dioxathiane 2-oxide?
(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 (4R)-4-methyl-1,3,2-dioxathiane 2-oxide is sourced from PubChem (CID 72941544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).