2-methylsulfanyl-1,3-dioxane

C5H10O2S — CID 123672075

IUPAC2-methylsulfanyl-1,3-dioxane
SMILESCSC1OCCCO1
InChIInChI=1S/C5H10O2S/c1-8-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKeyQDDFCCBVAZZMSN-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.07
Rot. Bonds1

About 2-methylsulfanyl-1,3-dioxane

2-methylsulfanyl-1,3-dioxane (PubChem CID 123672075) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-dioxane.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-dioxane
PubChem CID123672075
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-methylsulfanyl-1,3-dioxane
SMILESCSC1OCCCO1
InChIInChI=1S/C5H10O2S/c1-8-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKeyQDDFCCBVAZZMSN-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,3-dioxane?
The IUPAC name of 2-methylsulfanyl-1,3-dioxane (CID 123672075) is 2-methylsulfanyl-1,3-dioxane.
What is the SMILES notation for 2-methylsulfanyl-1,3-dioxane?
The canonical SMILES for 2-methylsulfanyl-1,3-dioxane is CSC1OCCCO1.
What is the InChIKey of 2-methylsulfanyl-1,3-dioxane?
The InChIKey is QDDFCCBVAZZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-8-5-6-3-2-4-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-1,3-dioxane?
2-methylsulfanyl-1,3-dioxane has a molecular weight of 134.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-dioxane is sourced from PubChem (CID 123672075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).