(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide

C5H10O3S — CID 10920682

IUPAC(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
SMILESC[C@@H]1C[C@H](C)OS(=O)O1
InChIInChI=1S/C5H10O3S/c1-4-3-5(2)8-9(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,9?
InChIKeyUSNQMYYMYHSTGH-WLCGIXLNSA-N
MW150.20 g/mol
LogP0.78
Rot. Bonds

About (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide

(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide (PubChem CID 10920682) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide.

Molecular Properties

Compound Name(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
PubChem CID10920682
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
SMILESC[C@@H]1C[C@H](C)OS(=O)O1
InChIInChI=1S/C5H10O3S/c1-4-3-5(2)8-9(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,9?
InChIKeyUSNQMYYMYHSTGH-WLCGIXLNSA-N
XLogP0.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89343449
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(4S)-2,4-dimethylthietane 1-oxide
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(6S)-4-tert-butyl-6-methyl-2-oxooxathiazinane-3-carboxylic acid
CID 67235132
2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 12729221
2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium
CID 101355501
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium
CID 167046445
4-methylthiane 1-oxide;hydrate
CID 144515391
5-ethenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
CID 87104570
2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde
CID 14174444
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide?
The IUPAC name of (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide (CID 10920682) is (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide.
What is the SMILES notation for (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide?
The canonical SMILES for (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide is C[C@@H]1C[C@H](C)OS(=O)O1.
What is the InChIKey of (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide?
The InChIKey is USNQMYYMYHSTGH-WLCGIXLNSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4-3-5(2)8-9(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,9?.
What are the key properties of (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide?
(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide has a molecular weight of 150.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide is sourced from PubChem (CID 10920682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).