5-methylsulfanyl-1,3-dioxane

C5H10O2S — CID 86187364

IUPAC5-methylsulfanyl-1,3-dioxane
SMILESCSC1COCOC1
InChIInChI=1S/C5H10O2S/c1-8-5-2-6-4-7-3-5/h5H,2-4H2,1H3
InChIKeyXSYQKYRAQJLBEI-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.72
Rot. Bonds1

About 5-methylsulfanyl-1,3-dioxane

5-methylsulfanyl-1,3-dioxane (PubChem CID 86187364) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 5-methylsulfanyl-1,3-dioxane.

Molecular Properties

Compound Name5-methylsulfanyl-1,3-dioxane
PubChem CID86187364
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name5-methylsulfanyl-1,3-dioxane
SMILESCSC1COCOC1
InChIInChI=1S/C5H10O2S/c1-8-5-2-6-4-7-3-5/h5H,2-4H2,1H3
InChIKeyXSYQKYRAQJLBEI-UHFFFAOYSA-N
XLogP0.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trimethyl-1,3,5-dioxathiane
CID 23262324
2-Methoxy-1,4-oxathiane
CID 21674325
S-(1,3-dioxan-5-yl) ethanethioate
CID 20233082
2-(Methylsulfinylmethyl)-1,3-dioxane
CID 54158171
2-(2-Methylsulfanylethyl)-1,3-dioxane
CID 54224659
2-(1-Methylsulfanylethyl)-1,3-dioxane
CID 70587250
1,3-Dioxane-5-thiol
CID 87525792
[5-(Methylsulfanylmethyl)-1,3-dioxan-5-yl]methanethiol
CID 88945775
5-(Methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane
CID 89284073
2-(Methylsulfanylmethyl)-1,3-dioxane
CID 91216443
2-Methylsulfanyl-1,3-dioxane
CID 123672075
1-(Methoxymethoxy)-1-methylsulfanylethane
CID 123987079

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1,3-dioxane?
The IUPAC name of 5-methylsulfanyl-1,3-dioxane (CID 86187364) is 5-methylsulfanyl-1,3-dioxane.
What is the SMILES notation for 5-methylsulfanyl-1,3-dioxane?
The canonical SMILES for 5-methylsulfanyl-1,3-dioxane is CSC1COCOC1.
What is the InChIKey of 5-methylsulfanyl-1,3-dioxane?
The InChIKey is XSYQKYRAQJLBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-8-5-2-6-4-7-3-5/h5H,2-4H2,1H3.
What are the key properties of 5-methylsulfanyl-1,3-dioxane?
5-methylsulfanyl-1,3-dioxane has a molecular weight of 134.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1,3-dioxane is sourced from PubChem (CID 86187364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).